SCHEMBL20176078

SCHEMBL20176078

CC(C#N)(O[Si](C)(C)CCl)c1ccc2c(c1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNIP1 Q8TF40 1/20 0.34
FEM1B Q9UK73 1/20 0.34
TRPV1 Q8NER1 3/20 0.33
KCNH2 Q12809 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAOB P27338 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
SCHEMBL20176079 0.92 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL20176061 0.76 TSHR (0.34) SMN1; SMN2ALDH1A1MAPT
SCHEMBL20176055 0.76 MEN1 (0.35) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL20176066 0.76 CYP2D6 (0.34) KCNH2CYP1A2CYP3A4
SCHEMBL20176056 0.75 SQOR (0.32) ALDH1A1
SCHEMBL20176058 0.75 CSNK2A1 (0.31)
SCHEMBL20176041 0.75 CYP2D6 (0.35) ALDH1A1CYP3A4CYP2C19
SCHEMBL20176057 0.75 KDM4E (0.33) KCNH2
SCHEMBL20176064 0.74 CYP2A6 (0.36)
SCHEMBL20176063 0.70 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MAPT

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 FNIP1 3065/4885FEM1B 1230/4885TRPV1 4325/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB FNIP1 3065/4885FEM1B 1230/4885TRPV1 4325/4885

“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.