SCHEMBL20176045

SCHEMBL20176045

COC(=O)C(C#N)(O[Si](C)(C)CCl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.43
OPRM1 P35372 2/20 0.37
MEN1 O00255 1/20 0.37
OPRD1 P41143 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR1 P32246 1/20 0.35
SRC P12931 1/20 0.34
KCNA3 P22001 2/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
PLCG1 P19174 1/20 0.33
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 2/20 0.31
CES1 P23141 1/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
ALDH1A1 P00352 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL20176046 0.85 ALDH1A1 (0.39) MEN1KMT2AMAPK1ALDH1A1
SCHEMBL20176047 0.83 OPRM1 (0.39) OPRM1MEN1OPRD1KMT2ACYP2C19
SCHEMBL20176048 0.82 LMNA (0.33) OPRM1MEN1KMT2ANPC1RAB9A
SCHEMBL20176041 0.73 CYP2D6 (0.35) OPRM1KCNA3CYP2C19MAPK1RAB9A
SCHEMBL20176042 0.71 CYP2D6 (0.33) OPRM1RAB9A
SCHEMBL11460269 0.70 KCNN4 (0.60) KCNN4OPRM1MEN1OPRD1KMT2A
SCHEMBL20176051 0.70 CYP2D6 (0.33) OPRM1RAB9A
SCHEMBL20176043 0.70 CYP2D6 (0.37) OPRM1CYP2C19RAB9A
SCHEMBL20176052 0.69 KDM4E (0.31) OPRM1ALDH1A1
SCHEMBL16466672 0.69 KCNN4 (0.58) KCNN4OPRM1MEN1OPRD1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF EAST CHINA NORMAL UNIVERSITY (CN) 2018-05-24 US 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-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF NCLN, PNN, MB KCNN4 55/4885OPRM1 1704/4885MEN1 337/4885

“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.