SCHEMBL20176052

SCHEMBL20176052

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

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 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
SCHEMBL20176051 0.85 CYP2D6 (0.33) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL20176050 0.82 CYP2D6 (0.34) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL20176041 0.74 CYP2D6 (0.35) KDM4EALDH1A1CYP2D6DRD2DRD4
SCHEMBL20176042 0.71 CYP2D6 (0.33) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL20176044 0.71 ALDH1A1 (0.36) ALDH1A1CYP2D6DRD2DRD4OPRM1
SCHEMBL20176043 0.70 CYP2D6 (0.37) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL20176054 0.69 CYP2D6 (0.33) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL20176045 0.69 KCNN4 (0.43) ALDH1A1OPRM1
SCHEMBL20176047 0.68 OPRM1 (0.39) ALDH1A1CYP2D6DRD2DRD4OPRM1
SCHEMBL20176048 0.68 LMNA (0.33) KDM4EALDH1A1CYP2D6DRD2DRD4

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-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof EAST CHINA NORMAL UNIVERSITY (CN) 2019-10-22 US disclosed
US-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF EAST CHINA NORMAL UNIVERSITY (CN) 2018-05-24 US disclosed
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 (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-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF NCLN, PNN, MB KDM4E 2353/4885ALDH1A1 3188/4885GLA 3763/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB KDM4E 2353/4885ALDH1A1 3188/4885GLA 3763/4885

“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.