SCHEMBL6093475

SCHEMBL6093475

C=C(C(=O)c1c(OC)ccc(-c2cccs2)c1OC)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.45
KLKB1 P03952 2/20 0.43
KLK1 P06870 1/20 0.43
TNFRSF1A P19438 3/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41

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
SCHEMBL6094051 0.84 MAPT (0.45) ERN1KLKB1KLK1TNFRSF1ACTNNB1
SCHEMBL6091660 0.83 ERN1 (0.44) ERN1TNFRSF1AMAPTALDH1A1KDM4E
SCHEMBL6092789 0.83 ERN1 (0.44) ERN1TNFRSF1AMAPTALDH1A1KDM4E
SCHEMBL6093223 0.80 TNFRSF1A (0.45) ERN1TNFRSF1AMAPTALDH1A1KDM4E
SCHEMBL6091847 0.78 ABCB1 (0.41) ERN1TNFRSF1AMAPTALDH1A1HPGD
SCHEMBL6095260 0.78 ERN1 (0.46) ERN1TNFRSF1AMAPTALDH1A1KDM4E
SCHEMBL6092830 0.78 TNFRSF1A (0.57) ERN1TNFRSF1AMAPTALDH1A1KDM4E
SCHEMBL6093618 0.77 ERN1 (0.39) ERN1TNFRSF1AMAPTALDH1A1KDM4E
SCHEMBL6091494 0.76 TNFRSF1A (0.44) ERN1TNFRSF1AMAPTALDH1A1KDM4E
SCHEMBL6091675 0.75 KDM4E (0.52) ERN1TNFRSF1ACTNNB1WNT3AMAPT

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 claimed
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 ERN1 2367/4885KLKB1 1505/4885KLK1 1134/4885

“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.