SCHEMBL671401

SCHEMBL671401

COC(=O)C(C)(C)COc1ccc(-c2ccc([N+](=O)[O-])cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.56
CYP2C19 P33261 2/20 0.51
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.43

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
SCHEMBL10007447 0.83 DGAT1 (0.60) DGAT1
SCHEMBL18541134 0.81 DGAT1 (0.62) DGAT1
SCHEMBL16661033 0.81 DGAT1 (0.62) DGAT1MAPT
SCHEMBL16660947 0.81 MKNK1 (0.63) DGAT1
SCHEMBL16661237 0.80 DGAT1 (0.61) DGAT1
SCHEMBL16661020 0.79 DGAT1 (0.59) DGAT1
SCHEMBL16661050 0.79 DGAT1 (0.59) DGAT1
SCHEMBL16660930 0.78 DGAT1 (0.58) DGAT1
SCHEMBL16661278 0.78 DGAT1 (0.58) DGAT1
SCHEMBL20428515 0.78 DGAT1 (0.58) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 US disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 US disclosed
WO-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2011031628-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-03-17 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-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885CYP2C19 2230/4885POLB 4469/4885

“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.