SCHEMBL217844

SCHEMBL217844

O=C(CCc1ccc(O)c(Cl)c1Cl)c1ccc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 9/20 0.39
HSD17B2 P37059 8/20 0.39
HDAC6 Q9UBN7 6/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 2/20 0.38
ERCC5 P28715 2/20 0.38
FEN1 P39748 2/20 0.38
ESRRG P62508 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
IKBKB O14920 1/20 0.36

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
SCHEMBL217561 0.90 HDAC6 (0.43) HSD17B1HSD17B2HDAC6HDAC4HDAC1
SCHEMBL217643 0.86 ERCC5 (0.55) HSD17B1HSD17B2HDAC6HDAC1ERCC5
SCHEMBL217820 0.85 HSD17B1 (0.43) HSD17B1HSD17B2HDAC6HDAC4HDAC1
SCHEMBL219139 0.85 IKBKB (0.38) HSD17B1HSD17B2ERCC5FEN1ESRRG
SCHEMBL217067 0.85 ERCC5 (0.49) HSD17B1HSD17B2HDAC6HDAC1ERCC5
SCHEMBL14146740 0.85 HSD17B1 (0.34) HSD17B1HSD17B2HDAC6HDAC4HDAC1
SCHEMBL217281 0.84 HSD17B1 (0.42) HSD17B1HSD17B2HDAC6HDAC4HDAC1
SCHEMBL218562 0.83 PTGDR2 (0.45)
SCHEMBL217023 0.82 HSD17B1 (0.36) HSD17B1HSD17B2HDAC6ERCC5FEN1
SCHEMBL14146738 0.81 HSD17B1 (0.33) HSD17B1HSD17B2HDAC6HDAC4HDAC1

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 3911/4885HDAC6 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.