SCHEMBL4454522

SCHEMBL4454522

CC[C@@]1(C(=O)O)Cc2cc(O)ccc2O1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.51
PPARG P37231 8/20 0.51
PPARD Q03181 4/20 0.50
PTGS2 P35354 1/20 0.41
MAPT P10636 1/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
PTPN1 P18031 1/20 0.38
AKT1 P31749 1/20 0.38
CETP P11597 1/20 0.37

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
SCHEMBL10708009 0.86 PPARG (0.50) PPARAPPARGPPARDAKT1
SCHEMBL4454137 0.85 PPARA (0.41) PPARAPPARGPPARDMAPTAKT1
SCHEMBL13069922 0.85 PPARA (0.41) PPARAPPARGPPARDMAPTAKT1
SCHEMBL25054502 0.85 PPARA (0.41) PPARAPPARGPPARDMAPTAKT1
SCHEMBL3379758 0.84 PPARA (0.47) PPARAPPARGPPARDMAPT
SCHEMBL4385776 0.82 ATM (0.48) PPARAPPARGPPARDMAPT
SCHEMBL3380544 0.80 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL7420613 0.80 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL4382214 0.78 CYP3A4 (0.41) PPARAPPARGPPARDPTGS2MAPT
SCHEMBL6791705 0.77 PPARG (0.58) PPARAPPARGPPARD

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 6 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
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 PPARA 2/4885PPARG 3/4885PPARD 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.