SCHEMBL1840552

SCHEMBL1840552

CC1CC(NC(=O)NCNC(N)=O)CC(C)(C)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.44
PPP1CA P62136 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.37
CPB2 Q96IY4 1/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.33
EPHX1 P07099 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CFD P00746 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1953287 0.85 ALDH1A1 (0.52) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL7963467 0.82 ALDH1A1 (0.59) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL14296414 0.82 ALDH1A1 (0.63) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL4228227 0.75 ALDH1A1 (0.58) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL17728269 0.75 ALDH1A1 (0.54) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL1555271 0.74 ALDH1A1 (0.61) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL1555270 0.74 ALDH1A1 (0.61) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL2024842 0.74 ALDH1A1 (0.61) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL1555269 0.74 ALDH1A1 (0.61) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL15259552 0.73 ALDH1A1 (0.43) ALDH1A1HTTLMNAPPP1CATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111320562-B Method for producing isothiocyanate 旭化成株式会社 2022-08-16 CN disclosed
CN-113880741-A Method for producing isothiocyanate 旭化成株式会社 2022-01-04 CN disclosed
US-11192853-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2021-12-07 US disclosed
US-11046645-B2 Isothiocyanate production method, composition for transporting and storing N-substituted O-substituted thiocarbamate, and isothiocyanate composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2021-06-29 US disclosed
EP-2641896-B1 SEPARATION METHOD ASAHI CHEMICAL IND (JP) 2020-10-14 EP disclosed
EP-3363785-B1 ISOTHIOCYANATE PRODUCTION METHODS ASAHI CHEMICAL IND (JP) 2020-09-16 EP disclosed
CN-111320562-A Method for producing isothiocyanate 旭化成株式会社 2020-06-23 CN disclosed
US-20190233371-A1 Isothiocyanate Production Method, Composition for Transporting and Storing N-Substituted O-Substituted Thiocarbamate, and Isothiocyanate Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-08-01 US disclosed
EP-3214071-B1 ISOTHIOCYANATE COMPOSITION ASAHI CHEMICAL IND (JP) 2019-07-03 EP disclosed
US-10308601-B2 Isothiocyanate production method, composition for transporting and storing N-substituted O-substituted thiocarbamate, and isothiocyanate composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2019-06-04 US disclosed
US-8884047-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-11 US disclosed
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-07-10 US disclosed
US-20140194650-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-07-10 US disclosed
US-8658819-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-02-25 US disclosed
EP-2641896-A1 SEPARATION METHOD Asahi Kasei Chemicals Corporation (JP) 2013-09-25 EP disclosed
EP-2626345-A1 SEPARATION METHOD AND METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2013-08-14 EP disclosed
US-20130184488-A1 Separation Method and Method for Producing Isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-18 US disclosed
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 US disclosed
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-09 US disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 ALDH1A1 1568/4885HTT 169/4885LMNA 1776/4885
US-11046645-B2 Isothiocyanate production method, composition for transporting and storing N-substituted O-substituted thiocarbamate, and isothiocyanate composition TST, SLCO4C1, SLCO2B1 ALDH1A1 723/4885HTT 89/4885LMNA 4837/4885
US-20140194650-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 ALDH1A1 1568/4885HTT 169/4885LMNA 1776/4885
US-20190233371-A1 Isothiocyanate Production Method, Composition for Transporting and Storing N-Substituted O-Substituted Thiocarbamate, and Isothiocyanate Composition TST, SLCO4C1, SLCO2B1 ALDH1A1 723/4885HTT 89/4885LMNA 4837/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH ALDH1A1 574/4885HTT 423/4885LMNA 2324/4885
US-11192853-B2 Separation method and method for producing isocyanate IDH3A, IDH3B, CA9 ALDH1A1 278/4885HTT 2386/4885LMNA 1338/4885
US-20130184488-A1 Separation Method and Method for Producing Isocyanate IDH3A, IDH3B, CA9 ALDH1A1 278/4885HTT 2386/4885LMNA 1338/4885
US-10308601-B2 Isothiocyanate production method, composition for transporting and storing N-substituted O-substituted thiocarbamate, and isothiocyanate composition TST, SLCO4C1, SLCO2B1 ALDH1A1 723/4885HTT 89/4885LMNA 4837/4885
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 ALDH1A1 1568/4885HTT 169/4885LMNA 1776/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.