SCHEMBL6092258

SCHEMBL6092258

COc1ccc(-c2cccs2)cc1C(C=O)=Cc1ccc(N2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 12/20 0.44
ERN1 O75460 2/20 0.40
FGFR1 P11362 2/20 0.39
ALDH1A1 P00352 2/20 0.38
ALDH1A3 P47895 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
AHR P35869 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6093062 0.85 TNFRSF1A (0.48) TNFRSF1AERN1ALDH1A1MEN1KMT2A
SCHEMBL6094130 0.84 TNFRSF1A (0.52) TNFRSF1AERN1ALDH1A1MEN1KMT2A
SCHEMBL6091522 0.83 TNFRSF1A (0.47) TNFRSF1AERN1ALDH1A1MEN1KMT2A
SCHEMBL6094028 0.83 TNFRSF1A (0.49) TNFRSF1AERN1ALDH1A1MEN1KMT2A
SCHEMBL6093536 0.80 TNFRSF1A (0.45) TNFRSF1AERN1ALDH1A1MEN1KMT2A
SCHEMBL6091739 0.79 ABL1 (0.48) TNFRSF1A
SCHEMBL6092824 0.78 TNFRSF1A (0.51) TNFRSF1AERN1ALDH1A1MEN1KMT2A
SCHEMBL6092262 0.78 TNFRSF1A (0.46) TNFRSF1AALDH1A1MEN1KMT2ANPC1
SCHEMBL6093627 0.77 TNFRSF1A (0.45) TNFRSF1AERN1ALDH1A1MEN1KMT2A
SCHEMBL6095256 0.77 TNFRSF1A (0.47) TNFRSF1AERN1ALDH1A1MEN1KMT2A

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 4 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 claimed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 WO claimed
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 4880/4885ERN1 2367/4885FGFR1 2449/4885

“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.