SCHEMBL218298

SCHEMBL218298

Cc1cc(C=CC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.53
MAOB P27338 3/20 0.53
CXCL12 P48061 1/20 0.48
HSD17B1 P14061 4/20 0.47
HSD17B2 P37059 4/20 0.47
CYP1A1 P04798 4/20 0.44
CYP1B1 Q16678 4/20 0.44
P4HB P07237 1/20 0.43
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
BACE1 P56817 1/20 0.42
NQO2 P16083 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 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
SCHEMBL218297 1.00 MAOA (0.53) MAOAMAOBCXCL12HSD17B1HSD17B2
SCHEMBL218131 0.89 MAOA (0.52) MAOAMAOBHSD17B1HSD17B2CYP1A1
SCHEMBL218132 0.89 MAOA (0.52) MAOAMAOBHSD17B1HSD17B2CYP1A1
SCHEMBL216620 0.88 MAOA (0.54) MAOAMAOBCXCL12HSD17B1HSD17B2
SCHEMBL216621 0.88 MAOA (0.54) MAOAMAOBCXCL12HSD17B1HSD17B2
SCHEMBL217786 0.87 MAOA (0.59) MAOAMAOBCXCL12HSD17B1HSD17B2
SCHEMBL217331 0.87 MAOA (0.53) MAOAMAOBCXCL12HSD17B1HSD17B2
SCHEMBL217785 0.87 MAOA (0.59) MAOAMAOBCXCL12HSD17B1HSD17B2
SCHEMBL217332 0.87 MAOA (0.53) MAOAMAOBCXCL12HSD17B1HSD17B2
SCHEMBL219885 0.84 MAOB (0.63) MAOAMAOBCYP1A1CYP1B1P4HB

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 MAOA 1957/4885MAOB 3018/4885CXCL12 1157/4885

“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.