SCHEMBL219153

SCHEMBL219153

CC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPKAPK2 P49137 1/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
FFAR1 O14842 1/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.44
SLC9A1 P19634 1/20 0.44
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PRNP P04156 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IKBKB O14920 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NQO2 P16083 1/20 0.41

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
SCHEMBL12563595 0.85 CYP1A2 (0.51) ALDH1A1L3MBTL1CYP1A2CYP2C19HPGD
SCHEMBL15314440 0.85 MAPKAPK2 (0.48) ALDH1A1MAPKAPK2ERCC5FEN1CYP1A2
SCHEMBL3744237 0.85 ALDH1A1 (0.64) ALDH1A1MAPKAPK2ERCC5FEN1FFAR1
SCHEMBL27773423 0.84 ERCC5 (0.55) ALDH1A1MAPKAPK2ERCC5FEN1CYP1A2
SCHEMBL4943632 0.84 CYP1A2 (0.53) ALDH1A1MAPKAPK2ERCC5FEN1CYP1A2
Hydrochloric Acid SCHEMBL10434191 0.83 ALDH1A1 (0.62) ALDH1A1MAPKAPK2ERCC5FEN1FFAR1
SCHEMBL3417241 0.83 ALDH1A1 (0.67) ALDH1A1MAPKAPK2ERCC5FEN1FFAR1
SCHEMBL13044141 0.83 CYP1A2 (0.49) ALDH1A1MAPKAPK2ERCC5FEN1CYP1A2
SCHEMBL11806267 0.81 CYP1A2 (0.68) ALDH1A1CYP1A2CYP2C19HPGDSLC9A1
SCHEMBL13078607 0.81 SLC9A1 (0.59) ALDH1A1L3MBTL1HPGDLMNASLC9A1

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 12 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-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 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
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 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
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 (2 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 ALDH1A1 75/4885L3MBTL1 1744/4885MAPKAPK2 2227/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 ALDH1A1 1402/4885L3MBTL1 4803/4885MAPKAPK2 769/4885

“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.