SCHEMBL6092487

SCHEMBL6092487

COc1ccc(-c2cccs2)cc1CC(=O)c1ccc(C(=O)N2CCC(O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.52
BCR P11274 4/20 0.52
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
GRM3 Q14832 1/20 0.42
TNFRSF1A P19438 6/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL6092780 0.81 TNFRSF1A (0.50) TNFRSF1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL6091940 0.81 TNFRSF1A (0.52) TNFRSF1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL6094350 0.81 TNFRSF1A (0.45) ABL1BCRGAATSHRMAPK1
SCHEMBL6091742 0.81 ABL1 (0.52) ABL1BCRGAATSHRMAPK1
SCHEMBL6091875 0.80 TNFRSF1A (0.53) TNFRSF1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL6091629 0.80 TNFRSF1A (0.49) TNFRSF1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL6091870 0.80 TNFRSF1A (0.52) TNFRSF1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL6092548 0.80 KDM4E (0.50) TNFRSF1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL6091933 0.79 ALDH1A1 (0.49) MAPK1TNFRSF1AMEN1KMT2AALDH1A1
SCHEMBL6091397 0.79 KDM4E (0.49) TNFRSF1AMEN1KMT2AALDH1A1KDM4E

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 ABL1 1576/4885BCR 3892/4885GAA 504/4885

“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.