SCHEMBL1836388

SCHEMBL1836388

CCc1cccc(OC(=O)O)c1CC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
NCEH1 Q6PIU2 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
L3MBTL1 Q9Y468 6/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
CLCN2 P51788 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1838058 0.90 LTB4R (0.46) GABRA1GABRB2PPARAPPARGNCEH1
SCHEMBL1834655 0.88 LTB4R (0.44) GABRA1GABRB2PPARAPPARGNCEH1
SCHEMBL27742041 0.88 GABRA1 (0.38) GABRA1GABRB2PPARAPPARGCA12
SCHEMBL1839394 0.87 PPARA (0.50) PPARAPPARGNCEH1KDM4E
SCHEMBL29580903 0.87 GABRA1 (0.43) GABRA1GABRB2PPARAPPARGNCEH1
SCHEMBL988680 0.87 GABRA1 (0.43) GABRA1GABRB2PPARAPPARGNCEH1
SCHEMBL1834450 0.86 PPARA (0.56) PPARAPPARGMAPTKDM4E
SCHEMBL1838823 0.85 PPARA (0.48) PPARAPPARGNCEH1KDM4E
SCHEMBL28814510 0.85 PLA2G2A (0.37) GABRA1GABRB2PPARAPPARGL3MBTL1
SCHEMBL982905 0.85 PPARA (0.58) PPARAPPARGMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957954-A Thermoplastic resin composition for optical lens and preparation method and application thereof 万华化学集团股份有限公司 2022-08-30 CN claimed
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
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO 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
CN-115926135-A Thermoplastic resin composition for optical forming body and manufacturing method thereof 万华化学集团股份有限公司 2023-04-07 CN disclosed
CN-115716912-A Anti-yellowing thermoplastic resin composition and preparation method and application thereof 万华化学集团股份有限公司 2023-02-28 CN disclosed
CN-115433351-A Optical thermoplastic resin composition and manufacturing method thereof 万华化学集团股份有限公司 2022-12-06 CN 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
US-11174337-B2 Isocyanate composition, method for producing isocyanate polymer and isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-11-16 US disclosed
EP-1640357-B1 METHOD FOR PRODUCING AROMATIC CARBONATE ASAHI KASEI CHEMICALS CORP (JP) 2011-08-31 EP disclosed
CN-102105439-A Method for producing N-substituted carbamate and method for producing isocyanate using the N-substituted carbamate ASAHI KASEI CHEMICALS CORP (JP) 2011-06-22 CN 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
US-7652122-B2 Method for producing an aromatic carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-01-26 US disclosed
CN-100453520-C Method for producing aromatic carbonate ASAHI CHEMICAL CORP (JP) 2009-01-21 CN disclosed
US-20070055042-A1 Method for producing an aromatic carbonate ASAHI KASEI KABUSHIKI KAISHA (JP) 2007-03-08 US disclosed
CN-1839112-A Method for producing aromatic carbonate ASAHI CHEMICAL CORP (JP) 2006-09-27 CN disclosed
EP-1640357-A1 METHOD FOR PRODUCING AROMATIC CARBONATE Asahi Kasei Chemicals Corporation (JP) 2006-03-29 EP disclosed
CN-1098419-A The preparation method of polycarbonate GEN ELECTRIC (US) 1995-02-08 CN 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 (1 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 GABRA1 2395/4885GABRB2 2632/4885PPARA 772/4885

“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.