SCHEMBL6090983

SCHEMBL6090983

COc1cccc(OC)c1C(=O)Cc1ccc(OC(C)(C)C(=O)O)c(-c2cccs2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 7/20 0.47
KDM4E B2RXH2 4/20 0.39
SLC6A9 P48067 2/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 3/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
ERN1 O75460 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL6091637 0.89 TNFRSF1A (0.41) TNFRSF1AKDM4ESLC6A9MAPTMEN1
SCHEMBL6091877 0.83 TNFRSF1A (0.51) TNFRSF1AKDM4EMAPTMEN1KMT2A
SCHEMBL6093024 0.83 PPARG (0.42) TNFRSF1AKDM4EMAPTPPARGERN1
SCHEMBL6093002 0.81 PPARA (0.42) TNFRSF1AKDM4EMAPTPPARGERN1
SCHEMBL6094394 0.79 TNFRSF1A (0.51) TNFRSF1AKDM4ESLC6A9MAPTMEN1
SCHEMBL25208831 0.78 TNFRSF1A (0.58) TNFRSF1AMAPTMEN1KMT2AHPGD
SCHEMBL6110383 0.78 TNFRSF1A (0.58) TNFRSF1AMAPTMEN1KMT2AHPGD
SCHEMBL6092736 0.76 LMNA (0.50) TNFRSF1AKDM4ESLC6A9MAPTMEN1
SCHEMBL6091514 0.73 TNFRSF1A (0.58) TNFRSF1AKDM4EMAPTMEN1KMT2A
SCHEMBL6091223 0.72 MAPT (0.49) KDM4EMAPTMEN1KMT2AALDH1A1

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 TNFRSF1A 4880/4885KDM4E 1931/4885SLC6A9 2037/4885

“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.