SCHEMBL6091267

SCHEMBL6091267

COc1ccc(-c2cccs2)cc1CC(O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 12/20 0.43
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CASR P41180 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6110336 0.77 TNFRSF1A (0.43) TNFRSF1AKDM4EALDH1A1MAPTCASR
SCHEMBL6091629 0.77 TNFRSF1A (0.49) TNFRSF1AKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL6094201 0.76 TNFRSF1A (0.49) TNFRSF1AKDM4EALDH1A1MAPK1MAPT
SCHEMBL6093858 0.73 ALDH1A1 (0.47) TNFRSF1AKDM4EALDH1A1MAPK1MAPT
SCHEMBL6111132 0.73 TNFRSF1A (0.45) TNFRSF1AKDM4EALDH1A1MAPK1MAPT
SCHEMBL7059675 0.72 TNFRSF1A (0.51) TNFRSF1AKDM4EALDH1A1MAPK1MAPT
SCHEMBL6091514 0.71 TNFRSF1A (0.58) TNFRSF1AKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL6091851 0.70 ERN1 (0.50) TNFRSF1AKDM4EALDH1A1MAPK1MAPT
SCHEMBL6092554 0.70 MAPT (0.48) TNFRSF1AKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL27864586 0.70 ALDH1A1 (0.66) TNFRSF1AKDM4EALDH1A1MAPK1MAPT

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.