SCHEMBL6092914

SCHEMBL6092914

COC(=O)c1ccc(CC(=O)c2c(C)cccc2C)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 2/20 0.53
NOTUM Q6P988 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL6091872 0.91 P4HB (0.48) P4HBNOTUMLOXL2L3MBTL1LMNA
SCHEMBL6092099 0.87 P4HB (0.48) P4HBNOTUML3MBTL1LMNAMAPT
SCHEMBL17385782 0.80 NOTUM (0.53) P4HBNOTUMLOXL2LMNAMAPT
SCHEMBL6091614 0.78 MAPT (0.44) L3MBTL1MAPTRAB9AALDH1A1TDP1
SCHEMBL3577577 0.78 NOTUM (0.57) P4HBNOTUMLOXL2LMNAMAPT
SCHEMBL27594634 0.77 NOTUM (0.53) P4HBNOTUMLOXL2LMNAMAPT
SCHEMBL18973337 0.76 P4HB (0.66) P4HBNOTUMLOXL2LMNAMAPT
SCHEMBL29975942 0.76 NOTUM (0.55) P4HBNOTUMLOXL2LMNAMAPT
SCHEMBL1040017 0.76 NOTUM (0.55) P4HBNOTUMLOXL2LMNAMAPT
SCHEMBL30848162 0.76 P4HB (0.66) P4HBNOTUMLOXL2LMNAMAPT

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 543/4885LOXL2 3094/4885

“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.