SCHEMBL409085

SCHEMBL409085

CCCC1CN(C(=O)Nc2ccccc2CC)c2ccc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)cc2O1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.83
EGFR P00533 1/20 0.81
INSR P06213 1/20 0.81
PTGIR P43119 1/20 0.81
CASP9 P55211 1/20 0.81
CASP8 Q14790 1/20 0.81
SOAT2 O75908 3/20 0.65
CYP2C9 P11712 1/20 0.65
SOAT1 P35610 1/20 0.65
DGAT2 Q96PD7 1/20 0.65

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
SCHEMBL409086 1.00 DGAT1 (0.83) DGAT1EGFRINSRPTGIRCASP9
SCHEMBL409876 0.94 DGAT1 (0.84) DGAT1EGFRINSRPTGIRCASP9
SCHEMBL409875 0.94 DGAT1 (0.84) DGAT1EGFRINSRPTGIRCASP9
SCHEMBL10197467 0.93 DGAT1 (0.71) DGAT1EGFRINSRPTGIRCASP9
SCHEMBL408715 0.91 DGAT1 (1.00) DGAT1EGFRINSRPTGIRCASP9
SCHEMBL408716 0.91 DGAT1 (1.00) DGAT1EGFRINSRPTGIRCASP9
SCHEMBL410357 0.90 DGAT1 (0.79) DGAT1EGFRINSRPTGIRCASP9
SCHEMBL410356 0.90 DGAT1 (0.79) DGAT1EGFRINSRPTGIRCASP9
SCHEMBL406411 0.90 DGAT1 (1.00) DGAT1EGFRINSRPTGIRCASP9
SCHEMBL406410 0.90 DGAT1 (1.00) DGAT1EGFRINSRPTGIRCASP9

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 3 patents. 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
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
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 2/4885EGFR 4045/4885INSR 285/4885

“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.