SCHEMBL2204801

SCHEMBL2204801

CCCCCc1c(O)ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.52
DHFR P00374 1/20 0.43
CNR2 P34972 1/20 0.42
TYR P14679 1/20 0.41
HSD11B1 P28845 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL2202192 0.98 GCGR (0.51) GCGRDHFRCNR2TYRKDM4E
SCHEMBL2199195 0.98 GCGR (0.51) GCGRDHFRCNR2TYRKDM4E
SCHEMBL2201379 0.98 GCGR (0.51) GCGRDHFRCNR2TYRKDM4E
SCHEMBL2203973 0.98 GCGR (0.51) GCGRDHFRCNR2TYRKDM4E
SCHEMBL2201817 0.98 GCGR (0.51) GCGRDHFRCNR2TYRKDM4E
SCHEMBL2202743 0.98 GCGR (0.51) GCGRDHFRCNR2TYRKDM4E
SCHEMBL2203886 0.95 GCGR (0.47) GCGRDHFRCNR2HSD11B1ESR1
SCHEMBL2864086 0.89 GCGR (0.50) GCGRTYRHSD11B1KDM4EALDH1A1
SCHEMBL2201210 0.89 ESR2 (0.43) GCGRCNR2ESR1ESR2BACE1
SCHEMBL2855337 0.88 GCGR (0.49) GCGRTYRKDM4EALDH1A1HPGD

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 GCGR 1946/4885DHFR 1761/4885CNR2 3096/4885
US-20130178643-A1 Isocyanates and Aromatic Hydroxy Compounds PAH, APEH, HPD GCGR 1946/4885DHFR 1761/4885CNR2 3096/4885
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD GCGR 1943/4885DHFR 1282/4885CNR2 2859/4885

“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.