SCHEMBL20176113

SCHEMBL20176113

CC(C)(O)C(C)(CCc1ccccc1)C(=O)CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
SLC13A5 Q86YT5 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AR P10275 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KEAP1 Q14145 1/20 0.39
SSTR4 P31391 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL20176115 0.85 NPC1 (0.44) SLC6A2MMP12MMP13SLC13A5ALDH1A1
SCHEMBL28732435 0.74 ALDH1A1 (0.47) SLC13A5ALDH1A1POLBNPC1MAPT
SCHEMBL6632235 0.73 ALDH1A1 (0.50) SLC13A5ALDH1A1ARPOLBNPC1
SCHEMBL6628038 0.73 ALDH1A1 (0.50) SLC13A5ALDH1A1ARPOLBNPC1
SCHEMBL5475208 0.73 ALDH1A1 (0.50) SLC13A5ALDH1A1ARPOLBNPC1
SCHEMBL6476439 0.72 ALDH1A1 (0.48) SLC6A2MMP12MMP13SLC13A5ALDH1A1
Acetic Acid SCHEMBL27497151 0.72 ALDH1A1 (0.53) SLC13A5ALDH1A1ARPOLBNPC1
SCHEMBL20176094 0.71 NPC1 (0.46) SLC13A5ALDH1A1ARPOLBNPC1
SCHEMBL16486433 0.71 SLC6A2 (0.65) SLC6A2MMP12MMP13SLC13A5
SCHEMBL272368 0.70 TDP1 (0.48) SLC6A2ALDH1A1POLBNPC1MAPT

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 SLC6A2 237/4885MMP12 3730/4885MMP13 3096/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB SLC6A2 237/4885MMP12 3730/4885MMP13 3096/4885

“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.