SCHEMBL2201210

SCHEMBL2201210

CCCc1c(O)ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.43
ESR1 P03372 1/20 0.43
BACE1 P56817 2/20 0.42
USP7 Q93009 3/20 0.40
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
BCL2L1 Q07817 1/20 0.39
GCGR P47871 2/20 0.39
PDE4B Q07343 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37

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
Phenol SCHEMBL11324277 0.95 USP7 (0.43) ESR2ESR1BACE1USP7ALOX5
SCHEMBL2203886 0.90 GCGR (0.47) ESR2ESR1BACE1ALDH1A1HPGD
SCHEMBL2204801 0.89 GCGR (0.52) ESR2ESR1BACE1ALDH1A1HPGD
SCHEMBL2870986 0.88 BACE1 (0.42) ESR2ESR1BACE1USP7ALOX5
SCHEMBL17473174 0.87 ESR1 (0.46) ESR2ESR1BACE1USP7ALOX5
SCHEMBL2203973 0.87 GCGR (0.51) GCGRCNR2KDM4E
SCHEMBL2202743 0.87 GCGR (0.51) GCGRCNR2KDM4E
SCHEMBL2202192 0.87 GCGR (0.51) GCGRCNR2KDM4E
SCHEMBL2201817 0.87 GCGR (0.51) GCGRCNR2KDM4E
SCHEMBL2199195 0.87 GCGR (0.51) GCGRCNR2KDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2792673-B1 Carbamic acid ester derivatives for the production of isocyanate and aromatic hydroxy compounds ASAHI CHEMICAL IND (JP) 2018-07-25 EP disclosed
CN-103467730-B Carbamate compounds Asahi Kasei Chemical K. K. (JP) 2015-12-23 CN disclosed
EP-2213658-B1 METHOD FOR PRODUCTION OF ISOCYANATE AND AROMATIC HYDROXY COMPOUND ASAHI KASEI CHEMICALS CORP (JP) 2015-09-09 EP disclosed
EP-2792673-A1 Carbamic acid ester derivatives for the production of isocyanate and aromatic hydroxy compounds Asahi Kasei Chemicals Corporation (JP) 2014-10-22 EP disclosed
CN-101868445-B Method for producing isocyanate and aromatic hydroxy compound ASAHI CHEMICAL CORP 2014-06-18 CN disclosed
CN-101652344-B Method for production of isocyanate using composition comprising carbamic acid ester and aromatic hydroxy compound, and composition for transport or storage of carbamic acid ester ASAHI CHEMICAL CORP JP 2014-06-04 CN disclosed
US-8703989-B2 Isocyanates and aromatic hydroxy compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-04-22 US disclosed
CN-103467730-A Carbamate compound ASAHI KASEI CHEMICAL CORP 2013-12-25 CN disclosed
US-20130178643-A1 Isocyanates and Aromatic Hydroxy Compounds ASAHI KASEI CHEMICAL CORPORATION (JP) 2013-07-11 US disclosed
US-8293934-B2 Isocyanates and aromatic hydroxy compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-10-23 US disclosed
US-20110319648-A1 Isocyanates and Aromatic Hydroxy Compounds SHINOHATA MASAAKI (JP) 2011-12-29 US disclosed
US-7977504-B2 Process for producing isocyanates and aromatic hydroxy compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-07-12 US disclosed
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-10-28 US disclosed
EP-2213658-A1 METHOD FOR PRODUCTION OF ISOCYANATE AND AROMATIC HYDROXY COMPOUND Asahi Kasei Chemicals Corporation (JP) 2010-08-04 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 (3 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-20110319648-A1 Isocyanates and Aromatic Hydroxy Compounds PAH, APEH, HPD ESR2 1554/4885ESR1 818/4885BACE1 4255/4885
US-20130178643-A1 Isocyanates and Aromatic Hydroxy Compounds PAH, APEH, HPD ESR2 1554/4885ESR1 818/4885BACE1 4255/4885
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD ESR2 1539/4885ESR1 1124/4885BACE1 4260/4885

“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.