SCHEMBL6091803

SCHEMBL6091803

COc1ccc(-c2cccs2)cc1C(O)Cc1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSA P10619 1/20 0.41
TNFRSF1A P19438 11/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC1 Q13547 4/20 0.38
HDAC6 Q9UBN7 2/20 0.38
CYP19A1 P11511 1/20 0.38
HDAC2 Q92769 2/20 0.38

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
SCHEMBL6093586 0.77 TNFRSF1A (0.45) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6094141 0.70 TNFRSF1A (0.48) KDM4EALDH1A1L3MBTL1TNFRSF1A
SCHEMBL3345541 0.70 PDE2A (0.40) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6109483 0.69 TNFRSF1A (0.65) ALDH1A1HPGDMAPTTNFRSF1ATP53
SCHEMBL5622441 0.69 CTSA (0.50) ALDH1A1HPGDCTSA
SCHEMBL4344657 0.69 LTA4H (0.52) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL27864586 0.68 ALDH1A1 (0.66) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL7449452 0.68 LTA4H (0.50) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL6094201 0.67 TNFRSF1A (0.49) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL6091267 0.67 TNFRSF1A (0.43) KDM4EALDH1A1HPGDGLAGAA

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 1931/4885ALDH1A1 159/4885HPGD 527/4885

“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.