SCHEMBL6094282

SCHEMBL6094282

COc1ccc(-c2cccs2)c(OC)c1C(=O)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 5/20 0.44
ERN1 O75460 1/20 0.44
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RXRA P19793 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39

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
SCHEMBL6094177 0.90 MAPT (0.48) ERN1MAPTRXFP1KDM4EATM
SCHEMBL6093492 0.86 ERN1 (0.43) TNFRSF1AERN1MAPTRXFP1KDM4E
SCHEMBL6091939 0.84 TNFRSF1A (0.48) TNFRSF1AERN1MAPTRXFP1RXRA
SCHEMBL6092820 0.84 ALDH1A1 (0.43) ERN1MAPTKDM4EKMT2AMEN1
SCHEMBL6092933 0.83 TNFRSF1A (0.51) TNFRSF1AMAPTRXFP1RXRAKDM4E
SCHEMBL6093002 0.83 PPARA (0.42) TNFRSF1AERN1MAPTKDM4ETSHR
SCHEMBL6092736 0.82 LMNA (0.50) TNFRSF1AERN1MAPTRXFP1RXRA
SCHEMBL6091660 0.81 ERN1 (0.44) TNFRSF1AERN1MAPTRXFP1KDM4E
SCHEMBL6091675 0.81 KDM4E (0.52) TNFRSF1AERN1MAPTKDM4EKMT2A
SCHEMBL6091000 0.80 SLC6A9 (0.41) TNFRSF1AERN1MAPTKMT2AMEN1

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 4880/4885ERN1 2367/4885MAPT 1784/4885

“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.