SCHEMBL1679462

SCHEMBL1679462

C=CCOC(=O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
KDM4E B2RXH2 2/20 0.58
SNCA P37840 1/20 0.55
ESR1 P03372 4/20 0.53
ESR2 Q92731 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
CHRM1 P11229 1/20 0.50

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
SCHEMBL31182 0.95 SNCA (0.59) LMNAKDM4ESNCAESR1ESR2
SCHEMBL1920792 0.93 SNCA (0.58) LMNAKDM4ESNCAESR1ESR2
Hydrochloric Acid SCHEMBL28144301 0.93 SNCA (0.58) LMNAKDM4ESNCAESR1ESR2
SCHEMBL461801 0.93 SNCA (0.61) LMNAKDM4ESNCAMEN1KMT2A
Phenol SCHEMBL28318935 0.88 LMNA (0.60) LMNAKDM4ESNCAESR1ESR2
Paraben SCHEMBL1146606 0.88 SNCA (0.54) LMNAKDM4ESNCAESR1ESR2
SCHEMBL175786 0.87 SNCA (0.67) LMNAKDM4ESNCAESR1ESR2
SCHEMBL2346908 0.86 CYP3A4 (0.61) LMNAKDM4ESNCAMEN1KMT2A
SCHEMBL9717267 0.86 SNCA (0.55) LMNAKDM4ESNCAMEN1KMT2A
SCHEMBL1222875 0.85 SNCA (0.51) LMNAKDM4ESNCAESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311692-B1 NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION NIPPON MINING COMPANY LIMITED (JP) 1992-07-08 EP claimed
EP-0311692-A1 NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION NIPPON MINING COMPANY LIMITED (JP) 1989-04-19 EP claimed
JP-62087556-A None JP disclosed
JP-60023476-A None JP disclosed
JP-1233262-A None JP disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-5891359-A FLUOROTRIESTERAROMATIC COMPOUND FOR LIQUID CRYSTALS SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1999-04-06 US disclosed
EP-0164814-B1 LIQUID CRYSTALLINE ESTER COMPOUNDS AND MIXTURES THEREOF Chisso Corporation (JP) 1990-11-28 EP disclosed
JP-H01233262-A FLUOROALKOXYBIPHENBYLCARBOXYLIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION SHARP CORP 1989-09-19 JP disclosed
US-4834907-A STABLE, HIGH RESPONSE RATE CHISSO CORPORATION (JP) 1989-05-30 US disclosed
EP-0311692-A1 NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION NIPPON MINING COMPANY LIMITED (JP) 1989-04-19 EP disclosed
US-4778621-A Ester compound CHISSO CORPORATION (JP) 1988-10-18 US disclosed
US-4689176-A AROMATIC ESTER COMPOUND CHISSO CORPORATION (JP) 1987-08-25 US disclosed
JP-S6287556-A ESTER COMPOUND CHISSO CORP 1987-04-22 JP disclosed
EP-0164814-A2 Liquid crystalline ester compounds and mixtures thereof Chisso Corporation (JP) 1985-12-18 EP disclosed
JP-S6023476-A 4-(SUBSTITUTED CARBONYLOXY)BIPHENYLYL-4'-CARBOXYLIC ACID ALKYL ESTER CHISSO CORP 1985-02-06 JP 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 (2 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI LMNA 2091/4885KDM4E 4805/4885SNCA 1498/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 LMNA 3203/4885KDM4E 1970/4885SNCA 3884/4885

“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.