SCHEMBL3376832

SCHEMBL3376832

CC(C)C1(C(=O)O)Cc2cc(Oc3ccc4c(-c5ccc(OC(F)(F)F)cc5)noc4c3)ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.53
▸ PPARG P37231 7/20 0.36
▸ IP6K1 Q92551 1/20 0.34
▸ IP6K3 Q96PC2 1/20 0.34
▸ IP6K2 Q9UHH9 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ FPR2 P25090 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NR1H4 Q96RI1 2/20 0.33
▸ PPARD Q03181 2/20 0.32
▸ LSS P48449 1/20 0.32

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
SCHEMBL3376886 1.00 PPARA (0.53) PPARAPPARGIP6K1IP6K3IP6K2
SCHEMBL3376890 0.92 PPARA (0.52) PPARAPPARGFPR2SCN9APPARD
SCHEMBL3377321 0.92 PPARA (0.52) PPARAPPARGFPR2SCN9APPARD
SCHEMBL3378769 0.89 PPARA (0.43) PPARANR1H4LSS
SCHEMBL3378899 0.89 PPARA (0.43) PPARANR1H4LSS
SCHEMBL3378914 0.89 PPARA (0.45) PPARAPPARDLSS
SCHEMBL3379820 0.89 PPARA (0.45) PPARAPPARDLSS
SCHEMBL3376909 0.77 PPARD (0.53) PPARAPPARGPPARD
SCHEMBL3376978 0.77 PPARD (0.53) PPARAPPARGPPARD
SCHEMBL3376154 0.76 PPARA (0.39) PPARAPPARGIP6K1IP6K3IP6K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796665-B1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK SHARP & DOHME (US) 2010-11-17 — — EP disclosed
US-7629372-B2 Compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-12-08 — — US disclosed
US-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders MERCK & CO., INC. (US) 2008-02-14 — — US 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-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders LIPA, APOB, LCAT PPARA 111/4885PPARG 152/4885IP6K1 1337/4885

“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.

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