SCHEMBL4454340

SCHEMBL4454340

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.41
AKT1 P31749 2/20 0.38
MAPT P10636 1/20 0.37
SOD1 P00441 1/20 0.36
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
CCR1 P32246 5/20 0.35
CETP P11597 1/20 0.35
ENTPD5 O75356 1/20 0.35
PTPN1 P18031 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 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 1.00 PPARA (0.41) PPARAAKT1MAPTSOD1MGAM
SCHEMBL4456633 0.85 PPARA (0.50) PPARAAKT1MAPTCETPENTPD5
SCHEMBL4458326 0.80 MAPT (0.43) PPARAAKT1MAPTSOD1MGAM
SCHEMBL4454865 0.79 PPARA (0.49) PPARAKDM4E
SCHEMBL13886819 0.77 PPARA (0.39) PPARAAKT1MAPTSOD1MGAM
SCHEMBL4452565 0.77 PPARA (0.39) PPARAAKT1MAPTSOD1MGAM
SCHEMBL25054502 0.76 PPARA (0.41) PPARAAKT1MAPTSOD1MGAM
SCHEMBL13069922 0.76 PPARA (0.41) PPARAAKT1MAPTSOD1MGAM
SCHEMBL4454137 0.76 PPARA (0.41) PPARAAKT1MAPTSOD1MGAM
SCHEMBL4453974 0.76 PPARA (0.39) PPARAMAPTSOD1MGAMGAA

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
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-7629372-B2 Compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-12-08 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
US-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders MERCK & CO., INC. (US) 2008-02-14 US disclosed
US-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders MERCK & CO., INC. (US) 2008-02-14 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 111/4885AKT1 2382/4885MAPT 2324/4885
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.