SCHEMBL4153304

SCHEMBL4153304

CCOC(=O)C1(C(C)(C)O[SiH2]C(C)(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
OPRM1 P35372 6/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRD1 P41143 3/20 0.31
OPRK1 P41145 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SLC22A1 O15245 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL16445834 0.93 SMN1; SMN2 (0.36) POLBOPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL2473121 0.84 OPRM1 (0.38) POLBOPRM1SLC6A4
SCHEMBL16075830 0.77 ALDH1A1 (0.39) POLBOPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL19601333 0.76 ALDH1A1 (0.37) POLBOPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL2467508 0.76 OPRM1 (0.32) OPRM1OPRD1OPRK1
SCHEMBL2467443 0.73 CYP3A4 (0.51) POLBOPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL9313190 0.72 DGAT1 (0.41) POLBOPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL17682117 0.70 MAPT (0.37) POLBOPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL11372937 0.69 SMN1; SMN2 (0.37) POLBOPRM1SMN1; SMN2OPRD1OPRK1
SCHEMBL4671893 0.69 GAA (0.38) POLBOPRM1SMN1; SMN2OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B POLB 2798/4885OPRM1 2166/4885SMN1; SMN2 3886/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B POLB 2534/4885OPRM1 2017/4885SMN1; SMN2 3772/4885

“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.