SCHEMBL4453974

SCHEMBL4453974

COC(=O)C1(C(F)(F)F)Cc2cc(O)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.39
PPARD Q03181 1/20 0.39
GAA P10253 4/20 0.37
MGAM O43451 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
MAPT P10636 4/20 0.37
PTGS2 P35354 1/20 0.36
SOD1 P00441 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CETP P11597 1/20 0.35
ALPG P10696 1/20 0.35
ALOX12 P18054 1/20 0.35
ENTPD5 O75356 1/20 0.35
PTPN1 P18031 1/20 0.34
GABRA1 P14867 1/20 0.34

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
SCHEMBL4452565 0.88 PPARA (0.39) PPARAGAAMGAMSIMGAM2
SCHEMBL13886819 0.88 PPARA (0.39) PPARAGAAMGAMSIMGAM2
SCHEMBL23618114 0.83 PPARA (0.49) PPARAPPARDMAPTCETPENTPD5
SCHEMBL4458326 0.80 MAPT (0.43) PPARAGAAMGAMSIMGAM2
SCHEMBL19030396 0.78 PDK2 (0.39) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL4454340 0.76 PPARA (0.41) PPARAGAAMGAMSIMGAM2
SCHEMBL4450676 0.76 PPARA (0.41) PPARAGAAMGAMSIMGAM2
SCHEMBL13069922 0.76 PPARA (0.41) PPARAPPARDGAAMGAMSI
SCHEMBL4454137 0.76 PPARA (0.41) PPARAPPARDGAAMGAMSI
SCHEMBL25054502 0.76 PPARA (0.41) PPARAPPARDGAAMGAMSI

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 8 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
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 2/4885PPARD 1/4885GAA 1153/4885

“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.