SCHEMBL4447552

SCHEMBL4447552

COP(=O)(OCC(=O)c1ccc(C)cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
ACHE P22303 2/20 0.56
BCHE P06276 1/20 0.56
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
PKM P14618 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL6072598 0.97 CA1 (0.53) CA1CA2ACHEBCHEKMT2A
SCHEMBL4452972 0.95 CA1 (0.62) CA1CA2ACHEBCHEKMT2A
SCHEMBL4456578 0.92 CA1 (0.58) CA1CA2ACHEBCHEKMT2A
SCHEMBL4456869 0.89 CA1 (0.55) CA1CA2ACHEBCHEKMT2A
SCHEMBL4452675 0.89 CA1 (0.58) CA1CA2ACHEBCHEKMT2A
SCHEMBL9316652 0.87 CA1 (0.51) CA1CA2ACHEBCHEKMT2A
SCHEMBL9316348 0.81 CA1 (0.56) CA1CA2ACHEBCHEKMT2A
SCHEMBL9316665 0.80 MEN1 (0.55) CA1CA2ACHEBCHEKMT2A
SCHEMBL11133530 0.79 PKM (0.64) ACHEKMT2AMEN1PKMKDM4E
SCHEMBL9254186 0.78 GSK3B (0.50) CA1CA2ACHEBCHEKMT2A

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-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 US disclosed
US-20040086537-A1 Prophylactic or threapeutic composition for ocular circulation disorders INOUE JUN (JP) 2004-05-06 US disclosed
EP-1112749-A2 PREVENTIVES OR REMEDIES FOR EYE CIRCULATORY FAILURE Senju Pharmaceutical Co., Ltd. (JP) 2001-07-04 EP 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-20040086537-A1 Prophylactic or threapeutic composition for ocular circulation disorders CMA1, THOP1, TPSAB1 CA1 1038/4885CA2 209/4885ACHE 8/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR CA1 4668/4885CA2 2280/4885ACHE 384/4885

“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.