SCHEMBL20176102

SCHEMBL20176102

CC(O)(C(=O)CCl)c1ccc2c(c1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
TRPV1 Q8NER1 4/20 0.43
CTNNB1 P35222 4/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
WNT3A P56704 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL20176103 0.91 ALDH1A1 (0.48) TRPV1CTNNB1HPGDPOLBWNT3A
SCHEMBL22839330 0.76 POLB (0.44) ATMTRPV1TSHRKDM4EPOLB
SCHEMBL19469482 0.73 PTGS1 (0.49) ATMTRPV1CTNNB1TSHRKDM4E
SCHEMBL20176101 0.72 PTPN1 (0.44) HPGDKDM4ERAB9ANPC1CYP1A2
SCHEMBL84835 0.71 TRPV1 (0.49) TRPV1TSHRRAB9ASMN1; SMN2MEN1
SCHEMBL1426941 0.71 PTGS1 (0.48) ATMTRPV1CTNNB1TSHRLMNA
SCHEMBL29675894 0.71 CYP1A2 (0.55) ATMTRPV1TSHRLMNAKDM4E
SCHEMBL20176099 0.71 KMT2A (0.52) TSHRLMNAPOLBRAB9ANPC1
SCHEMBL20176100 0.71 NPC1 (0.44) TSHRLMNAHPGDPOLBGAA
SCHEMBL1348795 0.70 NPC1 (0.55) ATMTRPV1LMNAHPGDKDM4E

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 ATM 532/4885TRPV1 4325/4885CTNNB1 1501/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB ATM 532/4885TRPV1 4325/4885CTNNB1 1501/4885

“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.