SCHEMBL1835737

SCHEMBL1835737

CCCCCCCc1ccc(OC(N)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.66
THRA P10827 5/20 0.66
ALDH1A1 P00352 4/20 0.53
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53
HSPE1 P61604 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL1839479 1.00 THRB (0.66) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL1840959 1.00 THRB (0.66) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL1951721 1.00 THRB (0.66) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL1837008 1.00 THRB (0.66) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL1838051 1.00 THRB (0.66) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL1838228 0.98 THRB (0.67) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL530113 0.93 THRB (0.59) THRBTHRAALDH1A1HSD17B10RARB
SCHEMBL7063578 0.86 THRB (0.69) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL1953166 0.86 THRB (0.69) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL7064419 0.86 THRB (0.69) THRBTHRAALDH1A1ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3795561-B1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2024-11-06 EP disclosed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-112020493-B Method for producing urethane and method for producing isocyanate 旭化成株式会社 2023-04-21 CN disclosed
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
US-11352319-B2 Method for producing carbamate and method for producing isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-06-07 US disclosed
CN-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
CN-109843963-B Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer 旭化成株式会社 2022-05-13 CN disclosed
CN-107963982-B Polyisocyanate composition and isocyanate polymer composition 旭化成株式会社 2021-11-12 CN disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
US-9145357-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) 2015-09-29 US disclosed
US-8957241-B2 Method for producing carbonyl compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-17 US disclosed
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-05 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-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-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-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
US-20130178645-A1 Method for Producing Carbonyl Compund ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-11 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-11352319-B2 Method for producing carbamate and method for producing isocyanate CPS1, CA7, CA4 THRB 4633/4885THRA 4076/4885ALDH1A1 781/4885
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 THRB 4723/4885THRA 4461/4885ALDH1A1 1568/4885
US-20130178645-A1 Method for Producing Carbonyl Compund CA6, CPS1, C9 THRB 3836/4885THRA 3616/4885ALDH1A1 483/4885
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 THRB 4723/4885THRA 4461/4885ALDH1A1 1568/4885
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH THRB 2483/4885THRA 2001/4885ALDH1A1 574/4885
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 THRB 4723/4885THRA 4461/4885ALDH1A1 1568/4885

“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.