SCHEMBL6094350

SCHEMBL6094350

COc1ccc(-c2cccs2)cc1CC(=O)c1ccc(N2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 9/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HIF1A Q16665 1/20 0.43
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL6092780 0.84 TNFRSF1A (0.50) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6091940 0.84 TNFRSF1A (0.52) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6091870 0.83 TNFRSF1A (0.52) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6091875 0.83 TNFRSF1A (0.53) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6092548 0.83 KDM4E (0.50) TNFRSF1AMEN1KMT2ARAB9ANPC1
SCHEMBL6091629 0.83 TNFRSF1A (0.49) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6091397 0.82 KDM4E (0.49) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6091933 0.82 ALDH1A1 (0.49) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6092487 0.81 ABL1 (0.52) TNFRSF1AABL1BCRMEN1KMT2A
SCHEMBL6091841 0.80 ABCB1 (0.48) TNFRSF1AMEN1KMT2ARAB9ANPC1

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 1 patent. 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

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 4880/4885ABL1 1576/4885BCR 3892/4885

“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.