SCHEMBL6090975

SCHEMBL6090975

Cc1cccc(C)c1C=C(C=O)c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MYC P01106 1/20 0.33
PKM P14618 1/20 0.33
CXCR5 P32302 1/20 0.33
F2R P25116 1/20 0.33

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
SCHEMBL27966884 0.77 RAB9A (0.39) ALDH1A1HPGDRAB9ASMN1; SMN2LMNA
SCHEMBL6092122 0.73 HCRTR1 (0.39) ALDH1A1RAB9ASMN1; SMN2MYC
SCHEMBL6092495 0.69 L3MBTL1 (0.42) ALDH1A1RAB9AKMT2A
SCHEMBL3975555 0.69 ALDH1A1 (0.48) ALDH1A1MAPTMAOBLMNAMEN1
SCHEMBL23967931 0.67 TSHR (0.41) ALDH1A1HPGDSMN1; SMN2HTTMYC
SCHEMBL18606778 0.67 TSHR (0.41) ALDH1A1HPGDSMN1; SMN2HTTMYC
SCHEMBL28027270 0.66 HPGD (0.43) ALDH1A1HPGDRAB9AMAOBSMN1; SMN2
SCHEMBL66979 0.65 ALDH1A1 (0.52) ALDH1A1MAPTLMNAMEN1KMT2A
Biphenyl SCHEMBL2455099 0.65 ALDH1A1 (0.48) ALDH1A1RAB9ALMNAMEN1KMT2A
SCHEMBL27201517 0.65 ALDH1A1 (0.51) ALDH1A1HPGDMAPTRAB9AMAOB

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 1 patent. 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

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 ALDH1A1 159/4885HPGD 527/4885HSD17B10 189/4885

“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.