SCHEMBL6090959

SCHEMBL6090959

COC(=O)c1ccc(CC(C#N)(O[Si](C)(C)C(C)(C)C)c2c(OC)cccc2OC)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.38
NOTUM Q6P988 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ESR1 P03372 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
VDR P11473 1/20 0.33
RXRA P19793 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ESR2 Q92731 1/20 0.33
ALPL P05186 1/20 0.33
MAPT P10636 5/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6093285 0.90 P4HB (0.39) P4HBNOTUMMAPTALDH1A1RAB9A
SCHEMBL6092694 0.86 P4HB (0.36) P4HBNOTUMSMN1; SMN2MAPTALDH1A1
SCHEMBL6093027 0.78 MAPT (0.35) SMN1; SMN2MAPTMEN1RAB9AKMT2A
SCHEMBL6091531 0.73 MAPT (0.36) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6093531 0.73 IDO1 (0.32) MEN1KMT2A
SCHEMBL6092805 0.71 KDM4E (0.41) SMN1; SMN2PPARGMAPTALDH1A1MEN1
SCHEMBL28994694 0.71 NOTUM (0.48) P4HBNOTUMSMN1; SMN2MAPTALDH1A1
SCHEMBL6092033 0.69 IDO1 (0.31)
SCHEMBL6093172 0.69 MAPT (0.39) SMN1; SMN2MAPTALDH1A1MEN1RAB9A
SCHEMBL6091509 0.68 TNFRSF1A (0.37) MAPTALDH1A1MEN1RAB9AKMT2A

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 P4HB 874/4885NOTUM 543/4885SMN1; SMN2 2250/4885

“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.