SCHEMBL6093398

SCHEMBL6093398

COC(=O)c1ccc(CC(=O)c2cc(-c3cc4ccccc4s3)c(OC)cc2OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 10/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
AVPR1A P37288 1/20 0.41
ACLY P53396 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NAMPT P43490 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IKBKB O14920 1/20 0.39
ERN1 O75460 1/20 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
SCHEMBL6091946 0.89 TNFRSF1A (0.48) TNFRSF1ANPC1MAPTRAB9ANAMPT
SCHEMBL6091567 0.88 NPC1 (0.51) TNFRSF1ANPC1RAB9AAVPR1AACLY
SCHEMBL6040514 0.83 TNFRSF1A (0.53) TNFRSF1ANPC1MAPTRAB9AAVPR1A
SCHEMBL6093603 0.83 TNFRSF1A (0.53) TNFRSF1ANPC1MAPTRAB9AAVPR1A
SCHEMBL6040522 0.76 TNFRSF1A (0.80) TNFRSF1ANPC1MAPTRAB9ALMNA
SCHEMBL6040517 0.76 TNFRSF1A (0.80) TNFRSF1ANPC1MAPTRAB9ALMNA
SCHEMBL6040776 0.76 TNFRSF1A (0.50) TNFRSF1AMAPTAVPR1AACLYLMNA
SCHEMBL2332389 0.76 SMN1; SMN2 (0.46) NPC1MAPTRAB9ALMNASMN1; SMN2
SCHEMBL4727938 0.73 TNFRSF1A (0.54) TNFRSF1AAVPR1AACLYHDAC6IKBKB
SCHEMBL6092134 0.73 TNFRSF1A (0.52) TNFRSF1ANPC1MAPTRAB9AHDAC6

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 1 patent. 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

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 4880/4885NPC1 95/4885MAPT 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.