SCHEMBL10073858

SCHEMBL10073858

CC(C)(C)OC(=O)C1(C#N)CC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.48
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADORA3 P0DMS8 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40
ALOX5 P09917 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1I2 O75469 1/20 0.39
NR3C1 P04150 1/20 0.39
ABCB1 P08183 1/20 0.39
TBXA2R P21731 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
SCHEMBL670171 0.83 MEN1 (0.43) MAPTADORA3NPC1RAB9ACACNA1F
SCHEMBL670172 0.83 MEN1 (0.43) MAPTADORA3NPC1RAB9ACACNA1F
SCHEMBL545048 0.82 NR3C2 (0.52) NR3C2MAPTSMN1; SMN2ADORA3NPC1
SCHEMBL10073856 0.81 RORC (0.42) SMN1; SMN2LMNAGAAABCB1PDE4D
SCHEMBL10073865 0.75 LMNA (0.37) SMN1; SMN2LMNAKMT2AGAAMEN1
SCHEMBL671693 0.73 GAA (0.43) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5761621 0.69 MAPT (0.43) NR3C2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23123816 0.69 LMNA (0.50) NR3C2MAPTSMN1; SMN2ADORA3NPC1
SCHEMBL29786396 0.69 LMNA (0.50) NR3C2MAPTSMN1; SMN2ADORA3NPC1
SCHEMBL10071239 0.69 LMNA (0.51) MAPTSMN1; SMN2ADORA3CACNA1FCACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 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 (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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA NR3C2 3050/4885MAPT 3289/4885SMN1; SMN2 3724/4885

“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.