SCHEMBL6090955

SCHEMBL6090955

COc1cc(CO)cc(-c2cccs2)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 4/20 0.47
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 0.44
TUBA1A Q71U36 3/20 0.44
TUBA1C Q9BQE3 3/20 0.44
TUBB6 Q9BUF5 3/20 0.44

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
SCHEMBL6094859 0.87 CYP1A2 (0.46) TNFRSF1AALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL6094374 0.82 ERN1 (0.49) TNFRSF1AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL17655662 0.79 PTGS2 (0.52) ALDH1A1HPGDHSD17B10TUBB4ATUBB
SCHEMBL6092943 0.78 TNFRSF1A (0.52) TNFRSF1AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6092788 0.77 MAPT (0.50) TNFRSF1AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL7212822 0.75 RPS6KB2 (0.49) TNFRSF1AALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL6040526 0.74 TNFRSF1A (0.55) TNFRSF1AALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL1122521 0.74 PTGS2 (0.64) HSD17B10TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28672054 0.73 SMN1; SMN2 (0.49) TNFRSF1AALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL2780877 0.72 RPS6KB2 (0.56) TNFRSF1AALDH1A1SMN1; SMN2KDM4EGAA

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 4880/4885ALDH1A1 159/4885SMN1; 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.