SCHEMBL2496166

SCHEMBL2496166

CC(=Cc1cccc(OCc2ccccc2)c1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 2/20 0.63
PKM P14618 1/20 0.63
MAOB P27338 8/20 0.62
MAOA P21397 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CCNB2 O95067 1/20 0.57
CDK1 P06493 1/20 0.57
CDK4 P11802 1/20 0.57
CCNB1 P14635 1/20 0.57
CCND1 P24385 1/20 0.57
CCNB3 Q8WWL7 1/20 0.57
LCK P06239 1/20 0.56
NR4A2 P43354 1/20 0.55
AKR1C3 P42330 1/20 0.54
MAPK1 P28482 2/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL2496164 1.00 ALDH1A1 (0.63) ALDH1A1KDM4EPKMMAOBMAOA
SCHEMBL9475742 0.86 KDM4E (0.60) ALDH1A1KDM4EPKMMAOBMAOA
SCHEMBL9475746 0.86 KDM4E (0.60) ALDH1A1KDM4EPKMMAOBMAOA
SCHEMBL12191876 0.86 NR1H4 (0.62) ALDH1A1KDM4EPKMMAOBMAOA
SCHEMBL5606693 0.86 NR1H4 (0.61) KDM4EMAOBLCKNR4A2AKR1C3
SCHEMBL14198058 0.85 MAOB (0.65) ALDH1A1KDM4EPKMMAOBMAOA
SCHEMBL3662418 0.84 NR1H4 (0.63) ALDH1A1KDM4EMAOBNR4A2AKR1C3
SCHEMBL3662420 0.84 NR1H4 (0.63) ALDH1A1KDM4EMAOBNR4A2AKR1C3
SCHEMBL21192732 0.84 KDM4E (0.62) ALDH1A1KDM4EMAOBMAOAMEN1
SCHEMBL3550677 0.84 KDM4E (0.60) ALDH1A1KDM4EPKMMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
EP-2205548-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS Amgen, Inc (US) 2010-07-14 EP disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 WO disclosed
US-20070173434-A1 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
EP-1709014-B1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2007-05-30 EP disclosed
EP-1709014-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2006-10-11 EP disclosed
WO-2005070905-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2005-08-04 WO 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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 ALDH1A1 1149/4885KDM4E 2559/4885PKM 2037/4885
US-20070173434-A1 Antidiabetic oxazolidinediones and thiazolidinediones PPARD, PPARA, PPARG ALDH1A1 636/4885KDM4E 2385/4885PKM 948/4885

“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.