SCHEMBL17466751

SCHEMBL17466751

COc1cccc([C@@H](C)C[N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
BLM P54132 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
CASR P41180 2/20 0.44
FBP1 P09467 1/20 0.44
MAPK1 P28482 1/20 0.44
AOC3 Q16853 3/20 0.43
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL3696478 1.00 CNR1 (0.52) CNR1MEN1KMT2AGAABLM
SCHEMBL27794445 0.83 L3MBTL1 (0.58) CNR1MEN1KMT2AGAABLM
SCHEMBL1444565 0.83 L3MBTL1 (0.58) CNR1MEN1KMT2AGAABLM
SCHEMBL17470177 0.80 SERPINH1 (0.54) CNR1KMT2AGAABLML3MBTL1
SCHEMBL1984774 0.80 SERPINH1 (0.54) CNR1KMT2AGAABLML3MBTL1
SCHEMBL267537 0.79 MAPK1 (0.49) CNR1L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL27746042 0.79 CNR1 (0.47) CNR1MEN1KMT2AGAABLM
SCHEMBL28773402 0.79 CNR1 (0.47) CNR1MEN1KMT2AGAABLM
SCHEMBL18590445 0.78 ALDH1A1 (0.53) CNR1MEN1KMT2AGAABLM
SCHEMBL13986540 0.78 CNR1 (0.48) CNR1MEN1KMT2AGAAL3MBTL1

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-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 US disclosed
US-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 US disclosed
US-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations Rutgars, The State University of New Jersey (US) 2016-01-28 US disclosed
US-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations Rutgars, The State University of New Jersey (US) 2016-01-28 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-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations SOD1, AOC3, CBR1 CNR1 739/4885MEN1 3293/4885KMT2A 962/4885

“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.