SCHEMBL3378301

SCHEMBL3378301

COc1cccc2c3c(ccc12)OCC(C)(C#N)O3

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
CYP19A1 P11511 1/20 0.33
NQO2 P16083 1/20 0.33
CDK2 P24941 1/20 0.33
HPGD P15428 1/20 0.33
PNMT P11086 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IDO1 P14902 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2A6 P11509 1/20 0.31
EP300 Q09472 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL10974948 0.67 ABCG2 (0.37) MAPT
SCHEMBL4539365 0.64 PNMT (0.37) HPGDPNMTKDM4EHSD17B10HTR1A
SCHEMBL11874054 0.64 CTNNB1 (0.39) HTR1A
SCHEMBL12473426 0.63 CA1 (0.55) IMPDH2IMPDH1HPGDPNMTKDM4E
SCHEMBL357145 0.63 CA1 (0.61) IMPDH2IMPDH1HPGDPNMTKDM4E
SCHEMBL31116611 0.63 CA1 (0.61) IMPDH2IMPDH1HPGDPNMTKDM4E
SCHEMBL8136944 0.62 CA12 (0.43) PNMTKDM4ECASP1CASP7HSD17B10
SCHEMBL9871373 0.62 CDK2 (0.51) IMPDH2IMPDH1CYP19A1NQO2CDK2
SCHEMBL1764615 0.61 HTR1A (0.40) HTR1AALDH1A1
SCHEMBL1145699 0.60 ALDH1A1 (0.47) CYP19A1NQO2CDK2HPGDALDH1A1

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
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
EP-1796665-A4 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2009-08-12 EP disclosed
US-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders MERCK & CO., INC. (US) 2008-02-14 US disclosed
EP-1796665-A2 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS Merck & Co., Inc. (US) 2007-06-20 EP disclosed
WO-2006033891-A2 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO., INC. (US) 2006-03-30 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-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders LIPA, APOB, LCAT IMPDH2 1777/4885IMPDH1 1249/4885CYP19A1 626/4885

“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.