SCHEMBL217754

SCHEMBL217754

O=C(C=Cc1ccc(O)c(Cl)c1Cl)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
HSD17B1 P14061 9/20 0.37
HSD17B2 P37059 9/20 0.37
MCHR1 Q99705 1/20 0.36
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
CHEK1 O14757 1/20 0.35
ESRRG P62508 1/20 0.35
CYP2D6 P10635 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL217753 1.00 ERCC5 (0.47) ERCC5FEN1HSD17B1HSD17B2MCHR1
SCHEMBL219914 0.86 MAOA (0.51) HSD17B1HSD17B2MAOAMAOBESRRG
SCHEMBL219913 0.86 MAOA (0.51) HSD17B1HSD17B2MAOAMAOBESRRG
SCHEMBL219181 0.82 KDR (0.39) HSD17B1HSD17B2MAOAMAOBESRRG
SCHEMBL219182 0.82 KDR (0.39) HSD17B1HSD17B2MAOAMAOBESRRG
SCHEMBL219717 0.81 HDAC6 (0.43) HSD17B1HSD17B2MCHR1MAOAMAOB
SCHEMBL219716 0.81 HDAC6 (0.43) HSD17B1HSD17B2MCHR1MAOAMAOB
SCHEMBL4736824 0.81 GABRA3 (0.47) MAOBCYP2D6
SCHEMBL4736818 0.81 GABRA3 (0.47) MAOBCYP2D6
SCHEMBL217849 0.80 KDR (0.37) HSD17B1HSD17B2

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 5 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-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

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 3257/4885HSD17B1 2980/4885

“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.