SCHEMBL6092533

SCHEMBL6092533

C=C(C(=O)c1ccc(C(=O)OC)cc1)c1cc(OC)c(OC)c(-c2cccs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
RXFP1 Q9HBX9 1/20 0.48
TNFRSF1A P19438 6/20 0.46
TUBB4A P04350 3/20 0.45
TUBB P07437 3/20 0.45
TUBA3C P0DPH7 3/20 0.45
TUBA1B P68363 3/20 0.45
TUBA4A P68366 3/20 0.45
TUBB4B P68371 3/20 0.45
TUBB3 Q13509 3/20 0.45
TUBB2A Q13885 3/20 0.45
TUBB8 Q3ZCM7 3/20 0.45
TUBA3E Q6PEY2 3/20 0.45
TUBA1A Q71U36 3/20 0.45
TUBA1C Q9BQE3 3/20 0.45
TUBB6 Q9BUF5 3/20 0.45
TUBB2B Q9BVA1 3/20 0.45
TUBB1 Q9H4B7 3/20 0.45
TP53 P04637 3/20 0.44
LMNA P02545 3/20 0.44

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
SCHEMBL4728380 0.90 TNFRSF1A (0.49) MAPTRXFP1TNFRSF1ATUBB4ATUBB
SCHEMBL6040801 0.86 TNFRSF1A (0.45) MAPTRXFP1TNFRSF1ATUBB4ATUBB
SCHEMBL6094342 0.86 TNFRSF1A (0.49) MAPTRXFP1TNFRSF1ATUBB4ATUBB
SCHEMBL6040660 0.83 TNFRSF1A (0.44) MAPTRXFP1TNFRSF1ATUBB4ATUBB
SCHEMBL6092986 0.82 MAPT (0.52) MAPTRXFP1TNFRSF1ATUBB4ATUBB
SCHEMBL6040866 0.80 TNFRSF1A (0.58) MAPTRXFP1TNFRSF1ATUBB4ATUBB
SCHEMBL4728505 0.79 TNFRSF1A (0.42) MAPTRXFP1TNFRSF1ATUBB4ATUBB
SCHEMBL6092788 0.78 MAPT (0.50) MAPTRXFP1TNFRSF1ATUBB4ATUBB
SCHEMBL6091534 0.78 CD274 (0.50) RXFP1TP53LMNAALDH1A1KDM4E
SCHEMBL6040595 0.77 LMNA (0.46) MAPTRXFP1TNFRSF1ALMNAALDH1A1

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 4 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 claimed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 WO claimed
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 MAPT 1784/4885RXFP1 2493/4885TNFRSF1A 4880/4885

“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.