SCHEMBL4456633

SCHEMBL4456633

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.50
AKT1 P31749 2/20 0.40
MAPT P10636 1/20 0.39
PTPN1 P18031 2/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
ENTPD5 O75356 2/20 0.37
CETP P11597 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
HSD17B1 P14061 1/20 0.35
PTGS2 P35354 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
SCHEMBL4450676 0.85 PPARA (0.41) PPARAAKT1MAPTPTPN1ENTPD5
SCHEMBL4454340 0.85 PPARA (0.41) PPARAAKT1MAPTPTPN1ENTPD5
SCHEMBL4383885 0.81 PPARA (0.43) PPARAMAPTKDM4EALDH1A1
SCHEMBL10589031 0.79 AKT1 (0.43) PPARAAKT1MAPTPTPN1HIF1A
SCHEMBL23618118 0.77 PPARA (0.47) PPARAAKT1MAPTPTPN1HIF1A
SCHEMBL23618119 0.76 PPARA (0.47) PPARAAKT1MAPTPTPN1HIF1A
SCHEMBL4454522 0.73 PPARA (0.51) PPARAAKT1MAPTPTPN1HIF1A
SCHEMBL23618114 0.72 PPARA (0.49) PPARAMAPTPTPN1HIF1AEPAS1
SCHEMBL5546007 0.71 MAPT (0.60) AKT1MAPTPTPN1ENTPD5CETP
SCHEMBL4458326 0.69 MAPT (0.43) PPARAAKT1MAPTPTPN1HIF1A

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 2/4885AKT1 1940/4885MAPT 4125/4885

“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.