SCHEMBL13588382

SCHEMBL13588382

CC[C@]1(C(=O)O)COc2ccc(Oc3ccc4c(-c5ccc(C)cc5)noc4c3)cc2O1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.36
▸ PPARA Q07869 9/20 0.36
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ LSS P48449 1/20 0.32
▸ ATM Q13315 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
SCHEMBL3379771 0.90 PPARD (0.39) PPARGPPARA
SCHEMBL3379726 0.90 PPARD (0.39) PPARGPPARA
SCHEMBL3378319 0.90 PPARA (0.39) PPARGPPARA
SCHEMBL13069525 0.88 PPARD (0.35) PPARGPPARA
SCHEMBL3376909 0.77 PPARD (0.53) PPARGPPARA
SCHEMBL3376978 0.77 PPARD (0.53) PPARGPPARA
SCHEMBL3379734 0.77 PPARD (0.37) PPARGPPARAMAPTESR1ESR2
SCHEMBL3376972 0.77 PPARD (0.37) PPARGPPARAMAPTESR1ESR2
SCHEMBL4382214 0.67 CYP3A4 (0.41) PPARGPPARAMAPTPTGS2ATM
SCHEMBL3378769 0.67 PPARA (0.43) PPARAMAPTESR1ESR2LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PPARG 152/4885PPARA 111/4885MAPT 2324/4885

“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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