SCHEMBL20176100

SCHEMBL20176100

Cc1ccc(C(C)(O)C(=O)CCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KIF11 P52732 5/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL20176099 0.85 KMT2A (0.52) NPC1RAB9AMAPTTSHRALDH1A1
SCHEMBL30927966 0.75 TSHR (0.48) NPC1RAB9AMAPTTSHRALDH1A1
SCHEMBL7866065 0.75 TSHR (0.48) NPC1RAB9AMAPTTSHRALDH1A1
SCHEMBL20176101 0.75 PTPN1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2NPSR1
Toluene SCHEMBL10462740 0.72 HSD11B1 (0.47) NPC1RAB9AMAPTTSHRALDH1A1
SCHEMBL11862654 0.72 CA2 (0.55) NPC1RAB9AMAPTTSHRALDH1A1
SCHEMBL9290105 0.72 CNR2 (0.45) NPC1RAB9AMAPTTSHRSMN1; SMN2
SCHEMBL11846636 0.71 CYP2C9 (0.47) NPC1RAB9AMAPTTSHRALDH1A1
P-Xylene SCHEMBL28089675 0.69 ALDH1A1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL20176105 0.69 ALDH1A1 (0.39) NPC1RAB9AMAPTTSHRALDH1A1

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 NPC1 1862/4885RAB9A 4161/4885MAPT 2928/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB NPC1 1862/4885RAB9A 4161/4885MAPT 2928/4885

“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.