SCHEMBL6091040

SCHEMBL6091040

COc1ccc(-c2cc3ccccc3s2)cc1CC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 7/20 0.53
ERN1 O75460 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
LTB4R Q15722 1/20 0.43
ACLY P53396 3/20 0.42
HDAC2 Q92769 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR1 P21453 1/20 0.41
APP P05067 1/20 0.40
SRD5A2 P31213 1/20 0.40

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
SCHEMBL6092134 0.91 TNFRSF1A (0.52) TNFRSF1AERN1HDAC6HDAC2MEN1
SCHEMBL6091940 0.80 TNFRSF1A (0.52) TNFRSF1AHDAC2MEN1KMT2AL3MBTL1
SCHEMBL6091816 0.78 TNFRSF1A (0.55) TNFRSF1AERN1HDAC6ACLYHDAC2
SCHEMBL731486 0.77 APP (0.65) TNFRSF1AERN1ACLYHDAC2APP
SCHEMBL6091620 0.76 TNFRSF1A (0.52) TNFRSF1AHDAC6ACLYMEN1NPC1
SCHEMBL6091606 0.76 PDGFRB (0.56) LTB4RMEN1NPC1RAB9AKMT2A
SCHEMBL6091799 0.74 CHEK2 (0.43) ERN1LTB4RHDAC2NPC1L3MBTL1
SCHEMBL10436312 0.73 TNFRSF1A (0.61) TNFRSF1AERN1NPC1RAB9AS1PR1
SCHEMBL6093061 0.73 MKNK1 (0.56) LTB4RACLY
SCHEMBL6091721 0.72 TNFRSF1A (0.54) TNFRSF1AMEN1KMT2AL3MBTL1

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 TNFRSF1A 4880/4885ERN1 2367/4885HDAC6 459/4885

“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.