SCHEMBL6091765

SCHEMBL6091765

COc1ccc(Br)c(OC)c1C(C#N)(Cc1ccc(C(F)(F)F)cc1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPARA Q07869 1/20 0.31
DCUN1D1 Q96GG9 2/20 0.31

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
SCHEMBL6091627 0.84 HTT (0.37) RAB9ASMN1; SMN2
SCHEMBL6093027 0.84 MAPT (0.35) RAB9ASMN1; SMN2DCUN1D1
SCHEMBL6092286 0.82 POLB (0.34) SMN1; SMN2NPSR1
SCHEMBL6093531 0.81 IDO1 (0.32)
SCHEMBL6093574 0.77 DRD2 (0.31)
SCHEMBL6093577 0.77 TDP1 (0.37) RAB9A
SCHEMBL6091521 0.73 PPARA (0.44) PPARA
SCHEMBL6091531 0.72 MAPT (0.36) SMN1; SMN2DCUN1D1
SCHEMBL6093551 0.62 PIK3CA (0.42) SMN1; SMN2PPARA
SCHEMBL6092961 0.61 TUBB1 (0.31) SMN1; SMN2

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 RAB9A 2477/4885SMN1; SMN2 2250/4885NPSR1 1192/4885

“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.