SCHEMBL6093285

SCHEMBL6093285

COC(=O)c1ccc(CC(C#N)(O[Si](C)(C)C(C)(C)C)c2c(C)cccc2C)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.39
NOTUM Q6P988 1/20 0.36
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CCR6 P51684 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
GABRA5 P31644 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
GAA P10253 1/20 0.30
TP53 P04637 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
SCHEMBL6092694 0.94 P4HB (0.36) P4HBNOTUMLMNAMAPTL3MBTL1
SCHEMBL6090959 0.90 P4HB (0.38) P4HBNOTUMMAPTRAB9AL3MBTL1
SCHEMBL6092033 0.81 IDO1 (0.31) CA12CA9
SCHEMBL28994694 0.71 NOTUM (0.48) P4HBNOTUMLMNAMAPTRAB9A
SCHEMBL6093027 0.71 MAPT (0.35) LMNAMAPTRAB9ACCR6HKDC1
SCHEMBL6091021 0.69 ALDH1A1 (0.40) LMNAMAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL6091531 0.69 MAPT (0.36) LMNAMAPTL3MBTL1CCR6HKDC1
SCHEMBL6092914 0.68 P4HB (0.53) P4HBNOTUMLMNAMAPTRAB9A
SCHEMBL17386180 0.67 NOTUM (0.50) P4HBNOTUMLMNAMAPTCA12
SCHEMBL25959391 0.66 NOTUM (0.52) P4HBNOTUMLMNAMAPTRAB9A

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 P4HB 874/4885NOTUM 543/4885LMNA 1688/4885

“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.