SCHEMBL6095281

SCHEMBL6095281

COC=Cc1cc(-c2cccs2)ccc1OC

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 18/20 0.62
ERN1 O75460 1/20 0.51
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6095278 1.00 TNFRSF1A (0.62) TNFRSF1AERN1KDM4ENPC1ALDH1A1
SCHEMBL5960661 0.82 ERN1 (0.68) TNFRSF1AERN1
SCHEMBL27864586 0.78 ALDH1A1 (0.66) TNFRSF1AERN1KDM4ENPC1ALDH1A1
SCHEMBL5574892 0.77 TNFRSF1A (1.00) TNFRSF1AALDH1A1TP53HPGDMAPK1
SCHEMBL5574895 0.77 TNFRSF1A (1.00) TNFRSF1AALDH1A1TP53HPGDMAPK1
SCHEMBL5574947 0.76 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5574946 0.76 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL8468558 0.76 ERN1 (0.60) TNFRSF1AERN1
SCHEMBL6040662 0.76 TNFRSF1A (0.87) TNFRSF1A
SCHEMBL5571669 0.76 TNFRSF1A (1.00) TNFRSF1A

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 4880/4885ERN1 2367/4885KDM4E 1931/4885

“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.