SCHEMBL6091643

SCHEMBL6091643

COc1cc(OC)c(-c2cc3ccccc3s2)cc1C=C(Br)Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 11/20 0.59
ERN1 O75460 1/20 0.48
FYN P06241 1/20 0.40
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K1 Q02750 1/20 0.39
AVPR1A P37288 1/20 0.39
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
TUBB6 Q9BUF5 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
SCHEMBL5960621 0.83 TNFRSF1A (0.62) TNFRSF1AERN1FYNKDM4EALDH1A1
SCHEMBL6092481 0.79 TNFRSF1A (0.58) TNFRSF1AERN1AVPR1ATUBB4ATUBB
SCHEMBL6093796 0.78 TNFRSF1A (0.57) TNFRSF1AERN1AVPR1A
SCHEMBL5960639 0.78 ERN1 (0.63) TNFRSF1AERN1AVPR1A
SCHEMBL5960658 0.77 TNFRSF1A (0.83) TNFRSF1AALDH1A1MAPT
SCHEMBL5960657 0.77 TNFRSF1A (0.83) TNFRSF1AALDH1A1MAPT
SCHEMBL5574909 0.76 TNFRSF1A (0.54) TNFRSF1AERN1KDM4EMEN1GAA
SCHEMBL6040828 0.75 ERN1 (0.57) TNFRSF1AERN1FYNMAPK3MAPK1
SCHEMBL4727944 0.74 TNFRSF1A (0.81) TNFRSF1AALDH1A1MAPT
SCHEMBL5571802 0.74 TNFRSF1A (1.00) TNFRSF1A

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 4880/4885ERN1 2367/4885FYN 3005/4885

“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.