SCHEMBL2000748

SCHEMBL2000748

CCCc1c(O)ccc2c(CC(C)(C)C)noc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.48
PPARA Q07869 14/20 0.34
PPARG P37231 13/20 0.34
PPARD Q03181 8/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33

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
SCHEMBL1995855 0.85 PPARA (0.44) GRM2PPARAPPARGPPARDESR1
SCHEMBL5210388 0.85 PPARA (0.41) GRM2PPARAPPARGPPARDNR1H2
SCHEMBL7039212 0.81 PPARA (0.38) GRM2PPARAPPARGPPARDESR1
SCHEMBL5208846 0.78 PPARG (0.44) PPARAPPARGPPARD
SCHEMBL7039280 0.78 PPARA (0.42) PPARAPPARGPPARDPOLB
SCHEMBL1400579 0.78 PPARD (0.39) PPARAPPARGPPARDESR1ESR2
SCHEMBL7044510 0.76 ALOX5 (0.39) PPARAPPARGPPARDPOLBKMT2A
SCHEMBL5210820 0.76 PPARA (0.43) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL1400248 0.76 PPARA (0.55) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL1941899 0.76 ALDH1A1 (0.34) PPARAPPARGPPARDESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960417-B2 Such as 1-(2,2-dimethylpropyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)phenoxy]butoxy}-1H-indole; neurological and psychiatric disorders MERCK SHARP & DOHME CORP. (US) 2011-06-14 US disclosed
US-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors MERCK SHARP & DOHME CORP. 2008-07-24 US disclosed
EP-1855670-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
EP-1040102-B1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2007-01-24 EP disclosed
US-7125865-B2 Therapeutic compounds for treating dyslipidemic conditions MERCK & CO., INC. (US) 2006-10-24 US disclosed
WO-2006091496-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-08-31 WO disclosed
EP-0948327-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2006-03-08 EP disclosed
EP-1458694-A4 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO INC (US) 2005-12-14 EP disclosed
EP-1448193-A4 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO INC (US) 2005-11-23 EP disclosed
US-20050239769-A1 Therapeutic compounds for treating dyslipidemic conditions MERCK SHARP & DOHME CORP. 2005-10-27 US disclosed
US-6160000-A Antidiabetic agents based on aryl and heteroarylacetic acids MERCK & CO., INC. (US) 2000-12-12 US disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 EP disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
US-6090839-A REDUCING TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
US-6008237-A POTENT AGONISTS OF PEROXIDSOME PROLIFERATOR ACTIVATED RECEPTOR; FOR CONTROLLING OR PREVENTING OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO., INC. (US) 1999-12-28 US disclosed
EP-0948327-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-10-13 EP disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 WO disclosed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1998027974-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1998-07-02 WO disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 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-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors GRM2, GRM3, GRIK2 GRM2 1/4885PPARA 222/4885PPARG 98/4885
US-20050239769-A1 Therapeutic compounds for treating dyslipidemic conditions NR1H2, NR1H3, LDLR GRM2 541/4885PPARA 119/4885PPARG 96/4885

“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.