SCHEMBL6093531

SCHEMBL6093531

COc1ccccc1CC(C#N)(O[Si](C)(C)C(C)(C)C)c1c(OC)ccc(Br)c1OC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.32
NR3C1 P04150 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6091517 0.85 NR3C1 (0.37) IDO1NR3C1MEN1KMT2A
SCHEMBL6092286 0.84 POLB (0.34) NR3C1MEN1KMT2A
SCHEMBL6091765 0.81 RAB9A (0.32)
SCHEMBL6093027 0.79 MAPT (0.35) MEN1KMT2A
SCHEMBL6091627 0.79 HTT (0.37) MEN1KMT2A
SCHEMBL6092033 0.73 IDO1 (0.31) IDO1
SCHEMBL6092805 0.73 KDM4E (0.41) MEN1KMT2A
SCHEMBL6091521 0.73 PPARA (0.44) MEN1KMT2A
SCHEMBL6090959 0.73 P4HB (0.38) MEN1KMT2A
SCHEMBL6093574 0.72 DRD2 (0.31)

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 IDO1 1528/4885NR3C1 719/4885MEN1 514/4885

“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.