SCHEMBL6095302

SCHEMBL6095302

C=C(C(=O)c1ccc(C(=O)O)cc1)c1cc(-c2cccnc2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.54
MKNK2 Q9HBH9 4/20 0.54
KMO O15229 1/20 0.49
ABCB1 P08183 7/20 0.48
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 4/20 0.47
CYP19A1 P11511 3/20 0.47
ACLY P53396 1/20 0.47
ABCC1 P33527 5/20 0.46
SMPD1 P17405 1/20 0.45
GAA P10253 1/20 0.45
SLC2A1 P11166 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
SCHEMBL6094174 0.79 PDGFRB (0.55) MKNK2
SCHEMBL6091767 0.77 ACMSD (0.47)
SCHEMBL6093061 0.76 MKNK1 (0.56) MKNK1MKNK2KMOABCB1CYP11B1
SCHEMBL6040654 0.76 TNFRSF1A (0.52)
SCHEMBL31591513 0.76 MKNK1 (0.78) MKNK1MKNK2KMOABCB1CYP11B1
SCHEMBL6040652 0.75 AR (0.43) MKNK1MKNK2
SCHEMBL1308012 0.74 TUBB4A (0.64) MKNK1MKNK2ABCB1ABCC1
SCHEMBL6040694 0.74 CA2 (0.52) MKNK1MKNK2ABCB1CYP11B1CYP11B2
SCHEMBL6091816 0.73 TNFRSF1A (0.55) ACLY
SCHEMBL208351 0.73 MKNK1 (1.00) MKNK1MKNK2KMOGAA

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 MKNK1 4361/4885MKNK2 4286/4885KMO 2800/4885

“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.