SCHEMBL4392887

SCHEMBL4392887

CC(C)(C)[Si](C)(C)OCC(=O)c1cccc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.54
VNN1 O95497 11/20 0.42
GRM5 P41594 2/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CBX7 O95931 1/20 0.39
CDYL2 Q8N8U2 1/20 0.39
CDY1; CDY1B Q9Y6F8 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
SCHEMBL9583175 0.81 NPC1 (0.41) ALDH1A1
SCHEMBL28059870 0.81 CTNNB1 (0.46) HPGD
SCHEMBL15512384 0.80 CES2 (0.45) ALDH1A1HPGD
SCHEMBL6314039 0.80 ERCC5 (0.47) ALDH1A1HPGD
SCHEMBL1712501 0.78 NPC1 (0.45) GSK3BALDH1A1HPGD
SCHEMBL21820029 0.77 S1PR3 (0.40) ALDH1A1
SCHEMBL7644456 0.75 GSK3B (0.59) GSK3BVNN1GRM5ALDH1A1HPGD
SCHEMBL29556203 0.74 GSK3B (0.70) GSK3BVNN1GRM5ALDH1A1
SCHEMBL2310105 0.74 GSK3B (0.70) GSK3BVNN1GRM5ALDH1A1
SCHEMBL481291 0.73 MRGPRX4 (0.45) GRM5ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 GSK3B 1014/4885VNN1 4585/4885GRM5 1500/4885

“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.