SCHEMBL20176115

SCHEMBL20176115

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC13A5 Q86YT5 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
KEAP1 Q14145 1/20 0.40
SLC6A2 P23975 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
SSTR4 P31391 1/20 0.40
HTT P42858 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
SCHEMBL20176113 0.85 SLC6A2 (0.42) NPC1RAB9APOLBMAPTMEN1
SCHEMBL20176094 0.83 NPC1 (0.46) NPC1RAB9APOLBMAPTMEN1
SCHEMBL20176111 0.83 TRPA1 (0.43) NPC1RAB9APOLBMAPTALDH1A1
SCHEMBL20176095 0.77 SLC13A5 (0.45) NPC1RAB9APOLBMAPTMEN1
SCHEMBL20176096 0.75 KMT2A (0.43) NPC1RAB9APOLBMAPTMEN1
SCHEMBL12266021 0.75 ALDH1A1 (0.47) NPC1RAB9APOLBMAPTMEN1
SCHEMBL29223826 0.75 ALDH1A1 (0.47) NPC1RAB9APOLBMAPTMEN1
SCHEMBL28732435 0.75 ALDH1A1 (0.47) NPC1RAB9APOLBMAPTMEN1
SCHEMBL6632235 0.74 ALDH1A1 (0.50) NPC1RAB9APOLBMAPTMEN1
SCHEMBL6628038 0.74 ALDH1A1 (0.50) NPC1RAB9APOLBMAPTMEN1

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 4161/4885POLB 2243/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB NPC1 1862/4885RAB9A 4161/4885POLB 2243/4885

“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.