SCHEMBL12070643

SCHEMBL12070643

CC(C)(Cc1cccc(C#N)c1)[Si](C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
NR3C1 P04150 1/20 0.42
NR3C2 P08235 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ENPP2 Q13822 1/20 0.41
PTPRB P23467 1/20 0.41
IDH1 O75874 1/20 0.40
FOLH1 Q04609 1/20 0.40
TP53 P04637 1/20 0.40
MEP1A Q16819 1/20 0.40
MEP1B Q16820 1/20 0.40
HTR2B P41595 1/20 0.39
VNN1 O95497 2/20 0.39
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 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
SCHEMBL13813141 0.85 HTR2B (0.43) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL13813207 0.82 HTR2B (0.46) GLANR3C1NR3C2CYP19A1CYP11B1
SCHEMBL6964908 0.80 GLA (0.50) GLANR3C1NR3C2CYP19A1CYP11B1
SCHEMBL15607566 0.77 ENPP2 (0.46) ENPP2LMNA
SCHEMBL6109806 0.77 SLC6A2 (0.52) GLANR3C1NR3C2CYP19A1CYP11B1
SCHEMBL13809217 0.77 MAOB (0.44) CYP19A1CYP11B1CYP11B2ENPP2TP53
SCHEMBL16137351 0.77 TAAR1 (0.43) NR3C1CYP11B1CYP11B2HRH3ALDH1A1
SCHEMBL13251509 0.77 ENPP2 (0.43) CYP11B1CYP11B2ENPP2
SCHEMBL8081506 0.77 BCL2 (0.36) TP53TRPA1ALDH1A1
SCHEMBL17283181 0.76 RIPK1 (0.42) CYP11B1CYP11B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 WO 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 (1 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 GLA 2621/4885NR3C1 3806/4885NR3C2 3170/4885

“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.