SCHEMBL6092756

SCHEMBL6092756

COc1ccccc1CC(=O)c1c(OC)ccc(Br)c1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 3/20 0.44
CNR2 P34972 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL6091585 0.80 KMT2A (0.52) TTRALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6092810 0.78 PDE4D (0.47) ALDH1A1
SCHEMBL6091675 0.77 KDM4E (0.52) TTRALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5997647 0.75 MEN1 (0.42) ALDH1A1MEN1KMT2AHIF1ASMN1; SMN2
SCHEMBL6092876 0.75 MAPT (0.45) MEN1KMT2AHIF1AKDM4ENPC1
SCHEMBL6093551 0.74 PIK3CA (0.42) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL12593466 0.74 CA9 (0.46) ALDH1A1MEN1KMT2AHIF1ARAB9A
SCHEMBL1323122 0.74 CA12 (0.55) ALDH1A1MEN1KMT2AL3MBTL1HIF1A
SCHEMBL4599128 0.74 MEN1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1HIF1A
SCHEMBL27487723 0.73 MEN1 (0.39) ALDH1A1MEN1KMT2AHIF1AKDM4E

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 TTR 762/4885ALDH1A1 159/4885MEN1 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.