SCHEMBL6092262

SCHEMBL6092262

C=C(C(=O)c1ccc(N2CCCC2)cc1)c1cc(-c2cccs2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 11/20 0.46
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AHR P35869 1/20 0.41
GFER P55789 1/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39

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
SCHEMBL6093064 0.84 TNFRSF1A (0.52) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6040654 0.84 TNFRSF1A (0.52) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6092896 0.83 TNFRSF1A (0.52) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6092061 0.83 TNFRSF1A (0.51) TNFRSF1AMEN1KMT2ARAB9ANPC1
SCHEMBL6092892 0.83 TNFRSF1A (0.53) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6094132 0.83 TNFRSF1A (0.51) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6091527 0.83 TNFRSF1A (0.50) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6094034 0.83 TNFRSF1A (0.50) TNFRSF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6091742 0.81 ABL1 (0.52) TNFRSF1AABL1BCRMEN1KMT2A
SCHEMBL6093539 0.80 ABCB1 (0.50) 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 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 4880/4885ABL1 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.