SCHEMBL406546

SCHEMBL406546

O=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 1.00
SOAT2 O75908 2/20 0.76
SOAT1 P35610 1/20 0.76
EGFR P00533 1/20 0.51
INSR P06213 1/20 0.51
PTGIR P43119 1/20 0.51
CASP9 P55211 1/20 0.51
CASP8 Q14790 1/20 0.51

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
SCHEMBL10267356 1.00 DGAT1 (1.00) DGAT1SOAT2SOAT1EGFRINSR
SCHEMBL406547 1.00 DGAT1 (1.00) DGAT1SOAT2SOAT1EGFRINSR
SCHEMBL10197270 0.89 DGAT1 (0.80) DGAT1SOAT2SOAT1EGFRINSR
SCHEMBL410970 0.89 DGAT1 (0.81) DGAT1SOAT2SOAT1
SCHEMBL410969 0.89 DGAT1 (0.81) DGAT1SOAT2SOAT1
SCHEMBL409767 0.88 DGAT1 (0.85) DGAT1SOAT2SOAT1EGFRINSR
SCHEMBL409766 0.88 DGAT1 (0.85) DGAT1SOAT2SOAT1EGFRINSR
SCHEMBL10197306 0.88 DGAT1 (0.85) DGAT1SOAT2SOAT1EGFRINSR
SCHEMBL406947 0.88 DGAT1 (0.80) DGAT1SOAT2SOAT1
SCHEMBL406946 0.88 DGAT1 (0.80) DGAT1SOAT2SOAT1

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 9/4885SOAT1 18/4885

“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.