SCHEMBL4383802

SCHEMBL4383802

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.36
GRM4 Q14833 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD11B1 P28845 1/20 0.35
CNR1 P21554 8/20 0.34
S1PR1 P21453 2/20 0.34
KCNA5 P22460 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR2 P34972 6/20 0.34
TNF P01375 1/20 0.34
FFAR1 O14842 1/20 0.33

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
SCHEMBL4382611 0.82 ALDH1A1 (0.34) GRM4ALDH1A1HSD11B1CNR1S1PR1
SCHEMBL1155330 0.80 ADRB3 (0.40)
SCHEMBL30781997 0.80 ADRB3 (0.40)
SCHEMBL8257719 0.80 MAPT (0.38)
SCHEMBL20765259 0.80 ADRB3 (0.40)
SCHEMBL22466439 0.79 HSD11B1 (0.36) ALDH1A1HSD11B1CNR1S1PR1KCNA5
SCHEMBL480243 0.79 FFAR1 (0.37) ALDH1A1CNR1LMNATSHRCRHBP
SCHEMBL480241 0.79 FFAR1 (0.37) ALDH1A1CNR1LMNATSHRCRHBP
SCHEMBL1154991 0.78 RIPK1 (0.47) LMNA
SCHEMBL14878508 0.78 RIPK1 (0.47) LMNA

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 FAAH 1521/4885GRM4 852/4885ALDH1A1 2105/4885

“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.