SCHEMBL3568992

SCHEMBL3568992

Cc1cccc(-c2ccccc2)c1[O]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
CYP2A6 P11509 2/20 0.43
CYP2B6 P20813 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MYC P01106 1/20 0.42
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL199940 0.83 ALDH1A1 (0.48) PDCD1CD274CYP2A6ALDH1A1HPGD
SCHEMBL3559815 0.81 TSHR (0.43) CYP2A6MYCALDH1A1NPC1RAB9A
SCHEMBL616 0.78 ESR2 (0.54) KDM4EPDCD1CD274CYP2A6CYP2B6
SCHEMBL30612770 0.78 CA12 (0.54) KDM4EPDCD1CD274CYP2A6CYP2B6
SCHEMBL29706107 0.78 ESR2 (0.54) KDM4EPDCD1CD274CYP2A6CYP2B6
SCHEMBL29109491 0.76 ESR2 (0.54) KDM4ECYP2A6CYP2B6ADORA3ADORA2A
Benzene SCHEMBL29008554 0.76 PDCD1 (0.57) KDM4EPDCD1CD274CYP2A6CYP2B6
Formaldehyde SCHEMBL29224547 0.76 CA12 (0.53) KDM4EPDCD1CD274CYP2A6CYP2B6
SCHEMBL192334 0.76 PDCD1 (0.57) KDM4EPDCD1CD274CYP2A6CYP2B6
SCHEMBL3559817 0.76 ESR2 (0.44) KDM4EPDCD1CD274CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653960-A4 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN INC (US) 2008-11-26 EP claimed
EP-1653960-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN INC. (US) 2006-05-10 EP claimed
US-20050215526-A1 Melanin concentrating hormone receptor antagonist AMGEN, INC. 2005-09-29 US claimed
WO-2005019167-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN, INC. (US) 2005-03-03 WO claimed
EP-2675800-A1 FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF Institute Of Chemistry, Chinese Academy Of Sciences (CN) 2013-12-25 EP disclosed
WO-2012079545-A1 FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF CHINESE ACADEMY OF SCIENCE INSTITUTE OF CHEMISTRY (CN) 2012-06-21 WO disclosed
US-7659276-B2 Melanin concentrating hormone receptor antagonist AMGEN, INC. (US) 2010-02-09 US disclosed
US-20090143405-A1 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN, INC. (US) 2009-06-04 US disclosed
US-7514438-B2 Melanin concentrating hormone receptor antagonist AMGEN, INC. (US) 2009-04-07 US disclosed
EP-1653960-A4 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN INC (US) 2008-11-26 EP disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
US-20050215526-A1 Melanin concentrating hormone receptor antagonist AMGEN, INC. 2005-09-29 US disclosed
WO-2005019167-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST AMGEN, INC. (US) 2005-03-03 WO disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 (5 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 KDM4E 2238/4885PDCD1 4063/4885CD274 4551/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 KDM4E 2238/4885PDCD1 4063/4885CD274 4551/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 KDM4E 4720/4885PDCD1 4637/4885CD274 4743/4885
US-20090143405-A1 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONIST MCHR1, MC1R, NPY1R KDM4E 3530/4885PDCD1 4164/4885CD274 3620/4885
US-20050215526-A1 Melanin concentrating hormone receptor antagonist MCHR1, MC1R, NPY1R KDM4E 3530/4885PDCD1 4164/4885CD274 3620/4885

“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.