SCHEMBL4452781

SCHEMBL4452781

CCC1(C(=O)OC)Cc2ccc(O)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.39
PPARA Q07869 4/20 0.39
PPARD Q03181 2/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SOD1 P00441 1/20 0.36
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.34
ESR2 Q92731 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 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
SCHEMBL25054502 0.89 PPARA (0.41) PPARGPPARAPPARDSOD1KMT2A
SCHEMBL4454137 0.89 PPARA (0.41) PPARGPPARAPPARDSOD1KMT2A
SCHEMBL13069922 0.89 PPARA (0.41) PPARGPPARAPPARDSOD1KMT2A
SCHEMBL6796006 0.87 PPARG (0.47) PPARGPPARAPPARDSOD1ESR2
SCHEMBL6796001 0.87 PPARG (0.47) PPARGPPARAPPARDSOD1ESR2
SCHEMBL6804338 0.87 PPARG (0.47) PPARGPPARAPPARDSOD1ESR2
SCHEMBL4383883 0.82 CYP2D6 (0.39) PPARGPPARAKDM4EALDH1A1KMT2A
SCHEMBL13588381 0.80 CYP3A4 (0.38) KDM4EALDH1A1KMT2AMAPTESR2
SCHEMBL7248833 0.80 ESR2 (0.43) PPARGPPARAPPARDSOD1ESR2
SCHEMBL7081951 0.80 ESR2 (0.43) PPARGPPARAPPARDSOD1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
EP-1539136-B1 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2008-07-09 EP disclosed
EP-1539136-A4 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2006-10-18 EP disclosed
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
EP-1539136-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004010936-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO., INC. (US) 2004-02-05 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 (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-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders PPARD, PPARA, PPARG PPARG 3/4885PPARA 2/4885PPARD 1/4885

“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.