SCHEMBL6091675

SCHEMBL6091675

COc1ccccc1CC(=O)c1c(OC)ccc(-c2cccs2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ERN1 O75460 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KLK7 P49862 1/20 0.45
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 5/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TTR P02766 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
TNFRSF1A P19438 2/20 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
SCHEMBL6091930 0.84 NPC1 (0.47) KDM4ENPC1RAB9AERN1TDP1
SCHEMBL6092674 0.81 ERN1 (0.44) KDM4EERN1MEN1KMT2AALDH1A1
SCHEMBL6094282 0.81 TNFRSF1A (0.44) KDM4EERN1MEN1KMT2ASMN1; SMN2
SCHEMBL6093492 0.80 ERN1 (0.43) KDM4EERN1SMN1; SMN2TNFRSF1AMAPK8
SCHEMBL6094177 0.80 MAPT (0.48) KDM4ENPC1RAB9AERN1TDP1
SCHEMBL6092987 0.78 ERN1 (0.46) KDM4EERN1MEN1KMT2AHPGD
SCHEMBL6092820 0.78 ALDH1A1 (0.43) KDM4ENPC1RAB9AERN1MEN1
SCHEMBL6092756 0.77 TTR (0.48) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL6091514 0.77 TNFRSF1A (0.58) KDM4ENPC1RAB9AERN1MEN1
SCHEMBL6093002 0.76 PPARA (0.42) KDM4EERN1SMN1; SMN2TNFRSF1AMAPT

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 KDM4E 1931/4885NPC1 95/4885RAB9A 2477/4885

“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.