SCHEMBL20176079

SCHEMBL20176079

CC(C#N)(O[Si](C)(C)CCl)c1ccc2c(c1)OCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MAPT P10636 6/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 2/20 0.33
HSP90AA1 P07900 1/20 0.33
RECQL P46063 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 2/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 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
SCHEMBL20176078 0.92 FNIP1 (0.34) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL20176055 0.76 MEN1 (0.35) ALDH1A1NPSR1HPGDKDM4EGAA
SCHEMBL20176061 0.76 TSHR (0.34) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL20176066 0.76 CYP2D6 (0.34) NPSR1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL20176056 0.75 SQOR (0.32) ALDH1A1
SCHEMBL20176058 0.75 CSNK2A1 (0.31)
SCHEMBL20176041 0.75 CYP2D6 (0.35) ALDH1A1NPSR1KDM4EALOX15CYP3A4
SCHEMBL20176057 0.75 KDM4E (0.33) KDM4EALOX15PKM
SCHEMBL20176064 0.74 CYP2A6 (0.36) GAANPC1
SCHEMBL11384727 0.73 CYP3A4 (0.41) ALDH1A1ADORA2AADORA1MAPTHPGD

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 3188/4885HTT 2318/4885NPSR1 2269/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB ALDH1A1 3188/4885HTT 2318/4885NPSR1 2269/4885

“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.