SCHEMBL1835754

SCHEMBL1835754

CC1(C)CC(NC(N)=O)CC(C)(CNC(N)=O)C1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.36
PBK Q96KB5 1/20 0.31
GAA P10253 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
SCHEMBL21010251 0.91 TSHR (0.59) TSHRALDH1A1TDP1PBK
SCHEMBL12230721 0.91 TSHR (0.59) TSHRALDH1A1TDP1PBKGAA
Hydrochloric Acid SCHEMBL28806249 0.88 TSHR (0.57) TSHRALDH1A1TDP1
SCHEMBL19312239 0.86 TSHR (0.47) TSHRALDH1A1TDP1
SCHEMBL17380051 0.86 TSHR (0.65) TSHRALDH1A1TDP1
SCHEMBL17380026 0.85 TSHR (0.67) TSHRALDH1A1TDP1
SCHEMBL28852425 0.85 TSHR (0.52) TSHRTDP1PBK
SCHEMBL1953284 0.84 TSHR (0.50) TSHRALDH1A1PBKGAA
SCHEMBL19442730 0.84 TSHR (0.52) TSHRALDH1A1TDP1
SCHEMBL19655693 0.83 TSHR (0.51) TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
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
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP 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-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP 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
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-20130178645-A1 Method for Producing Carbonyl Compund ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-11 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-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-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 (6 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 TSHR 4686/4885ALDH1A1 1568/4885TDP1 1890/4885
US-11046645-B2 Isothiocyanate production method, composition for transporting and storing N-substituted O-substituted thiocarbamate, and isothiocyanate composition TST, SLCO4C1, SLCO2B1 TSHR 650/4885ALDH1A1 723/4885TDP1 3249/4885
US-20130178645-A1 Method for Producing Carbonyl Compund CA6, CPS1, C9 TSHR 4304/4885ALDH1A1 483/4885TDP1 3915/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH TSHR 2998/4885ALDH1A1 574/4885TDP1 3561/4885
US-11192853-B2 Separation method and method for producing isocyanate IDH3A, IDH3B, CA9 TSHR 4739/4885ALDH1A1 278/4885TDP1 2542/4885
US-20130184488-A1 Separation Method and Method for Producing Isocyanate IDH3A, IDH3B, CA9 TSHR 4739/4885ALDH1A1 278/4885TDP1 2542/4885

“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.