SCHEMBL6093539

SCHEMBL6093539

C=C(C(=O)c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccs2)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.50
ABCC1 P33527 1/20 0.48
TNFRSF1A P19438 12/20 0.48
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL6093302 0.92 ABCB1 (0.50) ABCB1ABCC1TNFRSF1AALDH1A1KMT2A
SCHEMBL6040654 0.86 TNFRSF1A (0.52) TNFRSF1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL6093064 0.86 TNFRSF1A (0.52) ABCB1ABCC1TNFRSF1AALDH1A1KMT2A
SCHEMBL6092061 0.85 TNFRSF1A (0.51) ABCB1TNFRSF1AALDH1A1KMT2AMEN1
SCHEMBL6092892 0.85 TNFRSF1A (0.53) TNFRSF1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL6094132 0.85 TNFRSF1A (0.51) ABCB1TNFRSF1AALDH1A1KMT2AMEN1
SCHEMBL6092896 0.85 TNFRSF1A (0.52) TNFRSF1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL6094034 0.84 TNFRSF1A (0.50) TNFRSF1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL6091527 0.84 TNFRSF1A (0.50) TNFRSF1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL6093079 0.80 ABCB1 (0.48) ABCB1ABCC1TNFRSF1AALDH1A1KMT2A

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 ABCB1 26/4885ABCC1 311/4885TNFRSF1A 4880/4885

“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.