SCHEMBL218161

SCHEMBL218161

COC(=O)C(C)(C)CCCOc1ccc(CCC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.34
PPARA Q07869 2/20 0.33
ERCC5 P28715 2/20 0.33
FEN1 P39748 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
LTB4R Q15722 1/20 0.32
PPARG P37231 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
GCGR P47871 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 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
SCHEMBL218835 0.92 PPARA (0.42) PPARDPPARAERCC5FEN1HDAC6
SCHEMBL14146387 0.83 NPC1 (0.46) PPARDPPARAKDM4EKMT2APPARG
SCHEMBL218562 0.82 PTGDR2 (0.45) PPARDPPARAPPARG
SCHEMBL218491 0.81 ACLY (0.40) PPARDPPARAERCC5FEN1HDAC6
SCHEMBL217859 0.80 PPARA (0.39) PPARDPPARAERCC5FEN1PPARG
SCHEMBL217723 0.80 ERCC5 (0.35) PPARDPPARAERCC5FEN1HDAC6
SCHEMBL220559 0.77 ERCC5 (0.37) PPARDPPARAERCC5FEN1HDAC6
SCHEMBL217844 0.76 HSD17B1 (0.39) ERCC5FEN1HDAC6MAPK11MAPK14
SCHEMBL217980 0.76 PPARA (0.41) PPARDPPARAERCC5FEN1HDAC6
SCHEMBL216907 0.75 PPARA (0.33) PPARDPPARAERCC5FEN1KDM4E

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 claimed
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
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
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 PPARD 4/4885PPARA 16/4885ERCC5 3520/4885

“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.