SCHEMBL6715858

SCHEMBL6715858

CCCCC(Cc1ccc(O)cc1)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.44
ESR2 Q92731 4/20 0.44
PPARG P37231 6/20 0.44
PTGES O14684 2/20 0.44
ALOX5 P09917 2/20 0.44
PPARA Q07869 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
EPHX2 P34913 7/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H2 P55055 1/20 0.43

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
SCHEMBL6715740 0.91 EPHX2 (0.50) ESR1ESR2PPARGCA12CA1
SCHEMBL7758677 0.88 CA1 (0.56) ESR1ESR2PPARGPTGESALOX5
SCHEMBL13850500 0.87 ESR1 (0.49) ESR1ESR2PPARGCA12CA1
SCHEMBL27541485 0.86 PPARG (0.53) PPARGPTGESALOX5PPARAEPHX2
SCHEMBL5966552 0.85 ESR1 (0.44) ESR1ESR2PPARGCA12CA1
SCHEMBL6713622 0.85 PPARG (0.50) PPARGPTGESALOX5EPHX2TRPV1
SCHEMBL28700918 0.84 ESR1 (0.47) ESR1ESR2LMNACYP1A2CYP2D6
SCHEMBL28334190 0.84 ESR1 (0.49) ESR1ESR2PPARGPTGESALOX5
SCHEMBL9846651 0.83 ESR1 (0.47) ESR1ESR2PPARGPTGESALOX5
SCHEMBL604071 0.83 FOLH1 (0.53) ESR1ESR2PPARGPTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
EP-0916651-B1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES SANKYO CO (JP) 2003-10-15 EP disclosed
CN-1104413-C Phenylalkylcarboxylic acid derivatives SANKYO CO (JP) 2003-04-02 CN disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
CN-1280561-A Amidocarboxylic acid derivatives SANKYO CO (JP) 2001-01-17 CN disclosed
US-6103907-A ALDOSE REDUCTASE INHIBITING ANTIDIABETIC AGENT SANKYO COMPANY, LIMITED (JP) 2000-08-15 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP disclosed
CN-1219927-A Phenylalkylcarboxylic acid derivatives SANKYO CO (JP) 1999-06-16 CN disclosed
EP-0916651-A1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 1999-05-19 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 (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-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 ESR1 588/4885ESR2 354/4885PPARG 23/4885

“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.