SCHEMBL960787

SCHEMBL960787

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.80
CES1 P23141 1/20 0.80
CA1 P00915 3/20 0.69
CA2 P00918 2/20 0.69
ALDH1A1 P00352 4/20 0.63
CYP3A4 P08684 2/20 0.63
MAPK1 P28482 2/20 0.63
HSD17B10 Q99714 2/20 0.63
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TP53 P04637 1/20 0.63
THRB P10828 1/20 0.63
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
TSHR P16473 1/20 0.50
AKR1C3 P42330 1/20 0.50
POLB P06746 2/20 0.47
GAA P10253 1/20 0.46
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44

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
SCHEMBL223704 0.89 CES1 (1.00) CES2CES1CA1CA2ALDH1A1
SCHEMBL11588705 0.87 CES1 (0.96) CES2CES1CA1CA2ALDH1A1
Water SCHEMBL9045475 0.87 CES1 (0.96) CES2CES1CA1CA2ALDH1A1
SCHEMBL11588711 0.87 CES1 (0.96) CES2CES1CA1CA2ALDH1A1
Bromide SCHEMBL11420868 0.87 CES1 (0.96) CES2CES1CA1CA2ALDH1A1
SCHEMBL609222 0.84 CES1 (0.83) CES2CES1CA1CA2ALDH1A1
SCHEMBL233887 0.83 CES2 (0.86) CES2CES1CA1CA2ALDH1A1
SCHEMBL5246741 0.83 CES1 (0.86) CES2CES1CA1CA2ALDH1A1
SCHEMBL2040099 0.83 CES2 (0.80) CES2CES1CA1CA2ALDH1A1
SCHEMBL4823833 0.83 CES2 (0.80) CES2CES1CA1CA2ALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12510908-B2 Integration of metal-organic frameworks on textile fibers and fabrics for the destruction of nerve agents under ambient humidity conditions NORTHWESTERN UNIVERSITY (US) 2025-12-30 US disclosed
US-20250333849-A1 SOLVENT-BASED COMPOSITIONS AND RELATED METHODS FOR MOLYBDENUM ETCHING ENTEGRIS INC (US) 2025-10-30 US disclosed
WO-2023209532-A1 RECOMBINANT PLASMID VECTORS, METHOD FOR PRODUCING ENZYMES THAT HYDROLYZE ORGANOPHOSPHATE, CARBAMATE, AND PYRETHROID INSECTICIDES, AND THE FORMULATION OF SUCH ENZYMES AS FUNCTIONAL COMPONENTS BIOM CO., LTD. (TH) 2023-11-02 WO disclosed
US-20230048741-A1 INTEGRATION OF METAL-ORGANIC FRAMEWORKS ON TEXTILE FIBERS AND FABRICS FOR THE DESTRUCTION OF NERVE AGENTS UNDER AMBIENT HUMIDITY CONDITIONS DEFENSE THREAT REDUCTION AGENCY, US DOD 2023-02-16 US disclosed
WO-2021113296-A1 INTEGRATION OF METAL-ORGANIC FRAMEWORKS ON TEXTILE FIBERS AND FABRICS FOR THE DESTRUCTION OF NERVE AGENTS UNDER AMBIENT HUMIDITY CONDITIONS NORTHWESTERN UNIVERSITY (US) 2021-06-10 WO disclosed
WO-2017035253-A1 METHODS AND COMPOSITIONS FOR PROTEIN PURIFICATION AND ENZYME REACTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-02 WO disclosed
US-8722956-B2 Kit for decomposing organophosphorus compounds QUEEN'S UNIVERSITY AT KINGSTON (US) 2014-05-13 US disclosed
EP-1613402-B1 METHOD OF DECOMPOSING ORGANOPHOSPHORUS COMPOUNDS UNIV KINGSTON (CA) 2013-01-16 EP disclosed
US-20110253580-A1 Method of Decomposing Organophosphorus Compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2011-10-20 US disclosed
US-7875739-B2 Detoxification of hazardous materials; rapid lanthanum ion catalyzed alcoholysis QUEEN'S UNIVERSITY AT KINGSTON (CA) 2011-01-25 US disclosed
US-20070299275-A1 Method of decomposing organophosphorus compounds BROWN R S 2007-12-27 US disclosed
US-7214836-B2 Method of decomposing organophosphorus compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-05-08 US disclosed
US-6846654-B1 Catalytic antibodies as chemical sensors IGEN INTERNATIONAL, INC. (US) 2005-01-25 US disclosed
US-20040230082-A1 Method of decomposing organophosphorus compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-11-18 US disclosed
US-5763249-A Antibody-mediated reduction of α-ketoamides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-06-09 US disclosed
EP-0362304-B1 CHEMICAL SENSORS EMPLOYING CATALYTIC ANTIBODIES IGEN INC (US) 1997-03-05 EP disclosed
WO-1993012144-A1 ANTIBODY-MEDIATED REDUCTION OF α-KETOAMIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-06-24 WO disclosed
EP-0362304-A4 CHEMICAL SENSORS EMPLOYING CATALYTIC ANTIBODIES 1991-04-10 EP disclosed
EP-0362304-A1 CHEMICAL SENSORS EMPLOYING CATALYTIC ANTIBODIES. IGEN INC (US) 1990-04-11 EP disclosed
WO-1989005977-A1 CHEMICAL SENSORS EMPLOYING CATALYTIC ANTIBODIES IGEN, INC. (US) 1989-06-29 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 (3 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-20070299275-A1 Method of decomposing organophosphorus compounds ACHE, L3MBTL3, L3MBTL4 CES2 84/4885CES1 923/4885CA1 141/4885
US-20040230082-A1 Method of decomposing organophosphorus compounds ACHE, L3MBTL3, L3MBTL4 CES2 84/4885CES1 923/4885CA1 141/4885
US-12510908-B2 Integration of metal-organic frameworks on textile fibers and fabrics for the destruction of nerve agents under ambient humidity conditions H1-10, ACHE, H1-4 CES2 300/4885CES1 646/4885CA1 156/4885

“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.