SCHEMBL6093586

SCHEMBL6093586

COc1ccc(-c2cccs2)cc1C(=O)Cc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 14/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL6092023 0.85 TNFRSF1A (0.55) TNFRSF1AKDM4EALDH1A1HDAC1HDAC2
SCHEMBL6093079 0.82 ABCB1 (0.48) TNFRSF1AKDM4EALDH1A1MAPTHDAC1
SCHEMBL6094141 0.80 TNFRSF1A (0.48) TNFRSF1AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL6109483 0.79 TNFRSF1A (0.65) TNFRSF1AALDH1A1MAPTHPGDHSD17B10
SCHEMBL6091803 0.77 KDM4E (0.41) TNFRSF1AKDM4EALDH1A1MAPTHPGD
SCHEMBL6110453 0.76 TNFRSF1A (0.44) TNFRSF1AHDAC1HDAC2
SCHEMBL6110831 0.75 TNFRSF1A (0.48) TNFRSF1AKDM4EALDH1A1HDAC1HDAC2
SCHEMBL4680908 0.75 TNFRSF1A (0.57) TNFRSF1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6110612 0.74 TNFRSF1A (0.45) TNFRSF1AKDM4EALDH1A1MAPTHDAC1
SCHEMBL6111474 0.74 TNFRSF1A (0.43) TNFRSF1AKDM4EALDH1A1HDAC1HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US disclosed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 TNFRSF1A 4880/4885KDM4E 1931/4885ALDH1A1 159/4885

“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.