SCHEMBL20176111

SCHEMBL20176111

CC(C)(O)C(C)(Cc1ccccc1)C(=O)CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
FDPS P14324 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 2/20 0.41
MMP8 P22894 5/20 0.41
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39

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 0.83 NPC1 (0.44) SLC6A2FDPSCYP2C9CYP2C19CYP3A4
SCHEMBL1446791 0.73 SMN1; SMN2 (0.53) TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL28105527 0.72 SMN1; SMN2 (0.47) TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL28352359 0.72 SMN1; SMN2 (0.47) TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL23572607 0.72 SMN1; SMN2 (0.47) TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL2036359 0.72 SMN1; SMN2 (0.52) TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL2032810 0.72 SMN1; SMN2 (0.52) TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL20176094 0.71 NPC1 (0.46) SMN1; SMN2FDPSCYP2C9CYP2C19CYP3A4
SCHEMBL1275761 0.71 SMN1; SMN2 (0.55) TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL3361395 0.71 SMN1; SMN2 (0.55) TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1

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 TRPA1 3007/4885SMN1; SMN2 762/4885HIF1A 2913/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB TRPA1 3007/4885SMN1; SMN2 762/4885HIF1A 2913/4885

“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.