SCHEMBL9984741

SCHEMBL9984741

COC(=O)C(C)(C)COc1ccc(-c2ccc3c(C(=O)O)cc(C)nc3c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.67
SOAT2 O75908 2/20 0.67
SOAT1 P35610 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
DHODH Q02127 1/20 0.41
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL462112 0.88 DGAT1 (0.87) DGAT1SOAT2KDM4EALDH1A1
SCHEMBL435175 0.81 DGAT1 (1.00) DGAT1SOAT2KDM4EALDH1A1
SCHEMBL12045609 0.80 DGAT1 (0.88) DGAT1SOAT2KDM4EALDH1A1CYP1A2
SCHEMBL16661033 0.76 DGAT1 (0.62) DGAT1SOAT1KCNH2
SCHEMBL374783 0.75 DGAT1 (1.00) DGAT1SOAT2SOAT1KCNH2
SCHEMBL10177237 0.73 DGAT1 (0.49) DGAT1SOAT2
SCHEMBL12045604 0.73 DGAT1 (0.88) DGAT1SOAT2KDM4EALDH1A1
SCHEMBL10007447 0.73 DGAT1 (0.60) DGAT1SOAT1KCNH2
SCHEMBL15228858 0.72 DGAT1 (0.50) DGAT1SOAT2SOAT1KCNH2
SCHEMBL15445010 0.72 DGAT1 (0.73) DGAT1SOAT2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637507-B2 Bicyclic compounds as inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-8637507-B2 Bicyclic compounds as inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-8637507-B2 Bicyclic compounds as inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-12-29 US disclosed
US-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-12-29 US disclosed
US-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-12-29 US disclosed
WO-2010107765-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 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-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885SOAT2 6/4885SOAT1 12/4885

“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.