SCHEMBL220559

SCHEMBL220559

CC(C)(C)CC(C)(Oc1ccc(CCC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.37
FEN1 P39748 2/20 0.37
HDAC6 Q9UBN7 5/20 0.35
HDAC1 Q13547 1/20 0.35
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
PPARD Q03181 10/20 0.34
PPARA Q07869 5/20 0.32
PPARG P37231 4/20 0.32
HDAC4 P56524 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL217859 0.89 PPARA (0.39) ERCC5FEN1PPARDPPARAPPARG
SCHEMBL217723 0.83 ERCC5 (0.35) ERCC5FEN1HDAC6HDAC1MAPK11
SCHEMBL218835 0.82 PPARA (0.42) ERCC5FEN1HDAC6HDAC1MAPK11
SCHEMBL218562 0.82 PTGDR2 (0.45) PPARDPPARAPPARG
SCHEMBL219071 0.82 HSD17B2 (0.41) ERCC5FEN1HDAC6HDAC1PPARD
SCHEMBL217980 0.80 PPARA (0.41) ERCC5FEN1HDAC6HDAC1MAPK11
SCHEMBL218491 0.80 ACLY (0.40) ERCC5FEN1HDAC6MAPK11MAPK14
SCHEMBL217157 0.80 ERCC5 (0.52) ERCC5FEN1HDAC6HDAC1PPARD
SCHEMBL217986 0.79 PPARA (0.37) PPARDPPARAPPARG
SCHEMBL2738392 0.79 PPARA (0.37) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088819-B2 Derivatives of substituted 3-phenyl-1-(phenylthienyl)propan-1-ones and of 3-phenyl-1-(phenylfuranyl) propan-1-ones, preparation and use GENFIT (FR) 2012-01-03 US claimed
US-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE GENFIT (FR) 2010-02-04 US claimed

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-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE TPP1, NAT1, PGC ERCC5 3520/4885FEN1 3257/4885HDAC6 241/4885

“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.