SCHEMBL20176098

SCHEMBL20176098

CC#CC(O)(CCc1ccccc1)C(=O)CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
KEAP1 Q14145 1/20 0.37
MMP8 P22894 2/20 0.37
PLAAT5 Q96KN8 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
FDPS P14324 1/20 0.36
SLC13A5 Q86YT5 1/20 0.36
CES1 P23141 4/20 0.36
FAAH O00519 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL20176094 0.76 NPC1 (0.46) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL17974796 0.74 TAAR1 (0.39) NPC1RAB9ATDP1ALDH1A1MAPT
SCHEMBL20176095 0.73 SLC13A5 (0.45) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL20176115 0.73 NPC1 (0.44) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL20176096 0.72 KMT2A (0.43) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL20176097 0.69 NPC1 (0.42) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL6632235 0.68 ALDH1A1 (0.50) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5475208 0.68 ALDH1A1 (0.50) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6628038 0.68 ALDH1A1 (0.50) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21961908 0.67 SLC13A5 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1

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 4161/4885MEN1 337/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB NPC1 1862/4885RAB9A 4161/4885MEN1 337/4885

“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.