SCHEMBL20176103

SCHEMBL20176103

CC(O)(C(=O)CCl)c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
KIF11 P52732 1/20 0.43
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL20176102 0.91 ATM (0.44) SMN1; SMN2MAPK1CTNNB1WNT3ANPC1
SCHEMBL933157 0.76 CYP3A4 (0.50) ALDH1A1SMN1; SMN2CYP3A4MAPK1NPC1
SCHEMBL19265029 0.73 HPGD (0.43) ALDH1A1SMN1; SMN2HTTKIF11CYP3A4
SCHEMBL9150315 0.73 CYP3A4 (0.44) ALDH1A1SMN1; SMN2HTTKIF11CYP3A4
SCHEMBL10544610 0.73 MEN1 (0.49) ALDH1A1SMN1; SMN2HTTKIF11CYP3A4
SCHEMBL10441731 0.73 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KIF11CYP3A4MAPK1
SCHEMBL29043606 0.73 ALDH1A1 (0.47) ALDH1A1KIF11CYP3A4MAPK1CTNNB1
SCHEMBL20176101 0.72 PTPN1 (0.44) ALDH1A1SMN1; SMN2HTTKIF11CYP3A4
SCHEMBL8175237 0.72 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTKIF11CYP3A4
SCHEMBL9150125 0.72 KIF11 (0.44) ALDH1A1SMN1; SMN2KIF11CYP3A4MAPK1

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 3188/4885SMN1; SMN2 762/4885HTT 2318/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB ALDH1A1 3188/4885SMN1; SMN2 762/4885HTT 2318/4885

“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.