SCHEMBL218808

SCHEMBL218808

O=C(CCc1ccc(O)c(Br)c1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 0.41
HSD17B2 P37059 7/20 0.41
FFAR1 O14842 3/20 0.38
PIK3CA P42336 1/20 0.38
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
THRB P10828 3/20 0.37
THRA P10827 2/20 0.37
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL216571 0.88 HSD17B1 (0.47) HSD17B1HSD17B2FFAR1ERCC5FEN1
SCHEMBL217914 0.87 HSD17B1 (0.47) HSD17B1HSD17B2FFAR1MAPK11MAPK14
SCHEMBL217635 0.87 HSD17B1 (0.47) HSD17B1HSD17B2FFAR1PIK3CAERCC5
SCHEMBL216704 0.84 KIF11 (0.44) HSD17B1HSD17B2FFAR1ERCC5FEN1
SCHEMBL218416 0.83 PPARD (0.48) FFAR1FFAR4
SCHEMBL217208 0.81 PPARA (0.42) ERCC5FEN1
SCHEMBL218708 0.80 MAPK11 (0.43) HSD17B1HSD17B2FFAR1ERCC5FEN1
SCHEMBL218571 0.79 PPARA (0.44) ERCC5FEN1FFAR4
SCHEMBL216610 0.79 PPARD (0.39) FFAR1FFAR4
SCHEMBL218142 0.79 ERCC5 (0.35) HSD17B1HSD17B2ERCC5FEN1MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079722-B1 SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME GENFIT (FR) 2015-06-17 EP disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
EP-2079722-A2 SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME Genfit (FR) 2009-07-22 EP disclosed
WO-2008087366-A2 SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME GENFIT (FR) 2008-07-24 WO disclosed
WO-2008087366-A2 SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONE AND 3-PHENYL-1-(PHENYLFURANYL)PROPAN-1-ONE DERIVATIVES, AND PREPARATION AND USE OF SAME GENFIT (FR) 2008-07-24 WO 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-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 HSD17B1 2980/4885HSD17B2 3911/4885FFAR1 1795/4885

“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.