SCHEMBL6080261

SCHEMBL6080261

CC(C)(C)OC(=O)C(C)(C)CCCBr

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
DGAT1 O75907 1/20 0.39
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
ACLY P53396 1/20 0.31
AKT1 P31749 1/20 0.30
GAA P10253 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1721309 0.94 CYP4F2 (0.42) CYP4F2CYP4A11DGAT1TDP1CA1
SCHEMBL23970490 0.92 CYP4F2 (0.44) CYP4F2CYP4A11DGAT1TDP1ACLY
SCHEMBL23971207 0.92 CYP4F2 (0.44) CYP4F2CYP4A11DGAT1TDP1ACLY
SCHEMBL3041732 0.87 DGAT1 (0.41) CYP4F2CYP4A11DGAT1CA2GAA
SCHEMBL22016458 0.85 CYP4F2 (0.52) CYP4F2CYP4A11DGAT1TDP1CA1
SCHEMBL30690424 0.82 DGAT1 (0.35) DGAT1
SCHEMBL28489181 0.81 CYP4F2 (0.44) CYP4F2CYP4A11DGAT1TDP1CA1
SCHEMBL4122676 0.81 CYP4F2 (0.40) CYP4F2CYP4A11DGAT1ACLY
SCHEMBL17756699 0.79 CYP4F2 (0.47) CYP4F2CYP4A11DGAT1MEN1KMT2A
SCHEMBL17746739 0.79 CYP4F2 (0.61) CYP4F2CYP4A11DGAT1TDP1ACLY

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-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses GENFIT (FR) 2006-04-13 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-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses AADAC, NAT1, PARN CYP4F2 1471/4885CYP4A11 1131/4885DGAT1 2915/4885

“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.