SCHEMBL20176046

SCHEMBL20176046

C[Si](C)(CCl)OC(C#N)(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
PTPN1 P18031 4/20 0.38
PTPRC P08575 1/20 0.38
TACR1 P25103 1/20 0.36
CTSL P07711 5/20 0.35
CTSS P25774 5/20 0.35
CTSB P07858 3/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSK P43235 2/20 0.35
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL20176045 0.85 KCNN4 (0.43) ALDH1A1KMT2AMAPK1MEN1
SCHEMBL20176047 0.79 OPRM1 (0.39) ALDH1A1CTSLCTSBKMT2ASLC6A2
SCHEMBL20176048 0.78 LMNA (0.33) ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL16167316 0.71 ALDH1A1 (0.47) ALDH1A1PTPN1PTPRCTACR1KMT2A
SCHEMBL20176070 0.70 SLC6A2 (0.37) ALDH1A1SLC6A2ATM
SCHEMBL20176041 0.69 CYP2D6 (0.35) ALDH1A1MAPK1ATM
SCHEMBL28001504 0.69 ALDH1A1 (0.47) ALDH1A1CTSLCTSSCTSBKMT2A
SCHEMBL28748322 0.68 ALDH1A1 (0.50) ALDH1A1CTSLCTSSCTSBKMT2A
SCHEMBL31306361 0.68 SGMS2 (0.50) ALDH1A1CTSLCTSSCTSBKMT2A
SCHEMBL20176042 0.67 CYP2D6 (0.33) ATM

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 ALDH1A1 3188/4885PTPN1 4263/4885PTPRC 2853/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB ALDH1A1 3188/4885PTPN1 4263/4885PTPRC 2853/4885

“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.