SCHEMBL6092736

SCHEMBL6092736

COc1ccc(CC(=O)c2ccc(C(=O)O)cc2)cc1-c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.50
TNFRSF1A P19438 4/20 0.48
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ERN1 O75460 1/20 0.43
SLC6A9 P48067 1/20 0.42
RXRA P19793 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SRD5A2 P31213 2/20 0.41
ATM Q13315 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CA12 O43570 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
SCHEMBL6091939 0.93 TNFRSF1A (0.48) LMNANPC1HTTTNFRSF1AKDM4E
SCHEMBL6091223 0.90 MAPT (0.49) LMNANPC1HTTKDM4EMEN1
SCHEMBL6092943 0.86 TNFRSF1A (0.52) LMNANPC1HTTTNFRSF1AKDM4E
SCHEMBL6092505 0.84 TNFRSF1A (0.43) NPC1TNFRSF1AKDM4EMEN1KMT2A
SCHEMBL6091784 0.84 LMNA (0.58) LMNAHTTTNFRSF1AKDM4EMEN1
SCHEMBL6092933 0.83 TNFRSF1A (0.51) LMNAHTTTNFRSF1AKDM4EMEN1
SCHEMBL6091181 0.83 MAPT (0.49) LMNANPC1HTTKDM4EMEN1
SCHEMBL6094282 0.82 TNFRSF1A (0.44) LMNATNFRSF1AKDM4EMEN1KMT2A
SCHEMBL6092023 0.80 TNFRSF1A (0.55) TNFRSF1AKDM4EMEN1KMT2AALDH1A1
SCHEMBL6091940 0.79 TNFRSF1A (0.52) TNFRSF1AKDM4EMEN1KMT2AALDH1A1

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 LMNA 1688/4885NPC1 95/4885HTT 1466/4885

“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.