SCHEMBL10198358

SCHEMBL10198358

C=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)NCCc5ccccc5)cc(C)nc4c3)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.77
SOAT2 O75908 1/20 0.66
ALDH1A1 P00352 1/20 0.51
SOAT1 P35610 1/20 0.48
TP53 P04637 1/20 0.47
TACR3 P29371 1/20 0.45
MAPT P10636 4/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
HCRTR1 O43613 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL10198344 0.94 DGAT1 (0.87) DGAT1SOAT2ALDH1A1SOAT1TP53
SCHEMBL408210 0.93 DGAT1 (0.88) DGAT1SOAT2ALDH1A1SOAT1TP53
SCHEMBL408209 0.93 DGAT1 (0.88) DGAT1SOAT2ALDH1A1SOAT1TP53
SCHEMBL10198073 0.93 DGAT1 (0.88) DGAT1SOAT2ALDH1A1SOAT1TP53
SCHEMBL10197454 0.91 DGAT1 (0.75) DGAT1SOAT2ALDH1A1SOAT1TP53
SCHEMBL406049 0.89 DGAT1 (0.94) DGAT1SOAT2ALDH1A1SOAT1TP53
SCHEMBL406050 0.89 DGAT1 (0.94) DGAT1SOAT2ALDH1A1SOAT1TP53
SCHEMBL10198074 0.89 DGAT1 (0.94) DGAT1SOAT2ALDH1A1SOAT1TP53
SCHEMBL409878 0.88 DGAT1 (0.98) DGAT1SOAT2ALDH1A1SOAT1TP53
SCHEMBL409879 0.88 DGAT1 (0.98) DGAT1SOAT2ALDH1A1SOAT1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 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 (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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885SOAT2 9/4885ALDH1A1 1082/4885

“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.