SCHEMBL219182

SCHEMBL219182

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.39
IKBKB O14920 1/20 0.38
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
DPP4 P27487 1/20 0.37
AR P10275 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
BCHE P06276 1/20 0.36
ESR1 P03372 1/20 0.35
ESRRG P62508 1/20 0.35
CTSL P07711 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 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
SCHEMBL219181 1.00 KDR (0.39) KDRIKBKBHSD17B1HSD17B2DPP4
SCHEMBL219914 0.85 MAOA (0.51) IKBKBHSD17B1HSD17B2DPP4MAOA
SCHEMBL217849 0.85 KDR (0.37) KDRIKBKBHSD17B1HSD17B2KDM4E
SCHEMBL219913 0.85 MAOA (0.51) IKBKBHSD17B1HSD17B2DPP4MAOA
SCHEMBL217848 0.85 KDR (0.37) KDRIKBKBHSD17B1HSD17B2KDM4E
SCHEMBL217754 0.82 ERCC5 (0.47) HSD17B1HSD17B2MAOAMAOBESRRG
SCHEMBL217753 0.82 ERCC5 (0.47) HSD17B1HSD17B2MAOAMAOBESRRG
SCHEMBL219716 0.80 HDAC6 (0.43) HSD17B1HSD17B2MAOAMAOBESRRG
SCHEMBL219717 0.80 HDAC6 (0.43) HSD17B1HSD17B2MAOAMAOBESRRG
SCHEMBL4785916 0.78 DPP4 (0.55) DPP4ARMAOAMAOBESR1

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 KDR 2593/4885IKBKB 2354/4885HSD17B1 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.