SCHEMBL3230183

SCHEMBL3230183

CC(c1ccc([N+](=O)[O-])cc1)(c1ccc([N+](=O)[O-])cc1)P(=O)(O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.51
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CES1 P23141 2/20 0.49
CES2 O00748 1/20 0.49
HSD11B1 P28845 1/20 0.46
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 4/20 0.45
CA12 O43570 2/20 0.45
MMP2 P08253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
AKR1C3 P42330 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
CA9 Q16790 2/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL2637314 0.85 PTPRC (0.51) PTPRCCA1CA2CES1CES2
SCHEMBL5897358 0.79 CA1 (0.50) PTPRCCA1CA2CES1CES2
SCHEMBL2636706 0.78 PGK1 (0.67) CA1CA2CES1CES2HSD11B1
SCHEMBL2030739 0.78 CA1 (0.49) PTPRCCA1CA2CES1CES2
SCHEMBL6262303 0.77 CA1 (0.53) PTPRCCA1CA2CES1CES2
SCHEMBL78562 0.77 ALDH1A1 (0.51) PTPRCCA1CA2CES1CES2
Phosphoric Acid SCHEMBL28639141 0.77 CA1 (0.65) CA1CA2CES1CES2ACHE
SCHEMBL12208260 0.76 HSD11B1 (0.56) CA1CA2CES1HSD11B1ACHE
SCHEMBL1023276 0.76 HSD11B1 (0.60) CA1CA2CES1HSD11B1ACHE
SCHEMBL2033900 0.76 ALDH1A1 (0.47) PTPRCCA1CA2CES1CES2

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-20140073608-A1 Butyrylcholinesterase Inhibitors MGP BIOTECHNOLOGIES, LLC (US) 2014-03-13 US disclosed
US-20100069337-A1 BUTYRYLCHOLINESTERASE INHIBITORS JAL THERAPEUTICS, LLC 2010-03-18 US disclosed
WO-1992005788-A1 NEW PHOSPHONATE DERIVATIVES AS LIPASE AGENTS INHIBITING NOVO NORDISK A/S (DK) 1992-04-16 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 (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-20140073608-A1 Butyrylcholinesterase Inhibitors BCHE, ACHE, PSEN1 PTPRC 1949/4885CA1 1300/4885CA2 2371/4885
US-20100069337-A1 BUTYRYLCHOLINESTERASE INHIBITORS BCHE, ACHE, PSEN1 PTPRC 1949/4885CA1 1300/4885CA2 2371/4885

“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.