SCHEMBL6092286

SCHEMBL6092286

COc1ccc(Br)c(OC)c1C(C#N)(Cc1c(Cl)cccc1Cl)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
PLA2G1B P04054 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6093531 0.84 IDO1 (0.32) MEN1KMT2ANR3C1
SCHEMBL6091765 0.82 RAB9A (0.32) NPSR1SMN1; SMN2
SCHEMBL6093027 0.80 MAPT (0.35) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL6091627 0.80 HTT (0.37) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6091521 0.76 PPARA (0.44) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL6091517 0.75 NR3C1 (0.37) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6093577 0.73 TDP1 (0.37) KMT2AALDH1A1HSD17B10
SCHEMBL6093574 0.73 DRD2 (0.31)
SCHEMBL6092897 0.71 ACLY (0.39) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL6090959 0.68 P4HB (0.38) MAPTMEN1KMT2ANPSR1ALDH1A1

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 POLB 2647/4885MAPT 1784/4885KDM4E 1931/4885

“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.