SCHEMBL78561

SCHEMBL78561

CCOP(=O)(Cc1ccc([N+](=O)[O-])cc1)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.56
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 2/20 0.56
AKR1C3 P42330 1/20 0.53
KDM4E B2RXH2 1/20 0.47
IDO1 P14902 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGS2 P35354 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 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
SCHEMBL2031961 0.85 CA1 (0.56) CA1CA2BCHEACHETSHR
SCHEMBL915525 0.85 AKR1C3 (0.59) CA1CA2BCHEACHETSHR
SCHEMBL9499597 0.84 LMNA (0.66) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL2033790 0.84 AKR1C3 (0.50) CA1CA2BCHEACHETSHR
SCHEMBL4131256 0.84 CA1 (0.55) CA1CA2BCHEACHETSHR
SCHEMBL2030185 0.84 CA1 (0.55) CA1CA2BCHEACHETSHR
SCHEMBL1542484 0.84 CA1 (0.55) CA1CA2BCHEACHETSHR
SCHEMBL3375825 0.84 TSHR (0.50) TSHRCCNT1CDK9MAPTTP53
SCHEMBL22340143 0.83 CA1 (0.62) CA1CA2BCHEACHETSHR
SCHEMBL11225497 0.83 ALDH1A1 (0.51) CA1CA2BCHEACHETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540278-B2 Temperature programmable small molecules for thermoresponsive smart windows and applications thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2026-02-03 US disclosed
WO-2025262152-A1 CONDUCTIVE POLYMER DISPERSIONS FOR IMPROVED STABILITY PERFORMANCE OF CAPACITORS HERAEUS EPURIO GMBH (DE) 2025-12-26 WO disclosed
EP-4668303-A1 CONDUCTIVE POLYMER DISPERSIONS FOR IMPROVED STABILITY PERFORMANCE OF CAPACITORS Heraeus Epurio GmbH (DE) 2025-12-24 EP disclosed
US-20250367188-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2025-12-04 US disclosed
US-20250353874-A1 GLUCOCORTICOID RECEPTOR AGONISTS LILLY CO ELI (US) 2025-11-20 US disclosed
US-20250298333-A1 POLYESTER RESIN COMPOSITION, ELECTROSTATIC CHARGE IMAGE DEVELOPING TONER, DEVELOPER, AND IMAGE FORMING METHOD Konica Minolta, Inc. (JP) 2025-09-25 US disclosed
US-12404298-B2 Glucocorticoid receptor agonists ELI LILLY AND COMPANY (US) 2025-09-02 US disclosed
US-12379315-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes ELITECHGROUP MDX LLC (US) 2025-08-05 US disclosed
EP-4590686-A1 GLUCOCORTICOID RECEPTOR AGONISTS Eli Lilly and Company (US) 2025-07-30 EP disclosed
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-07-10 US disclosed
US-5194511-A Optical recording material, films and sheets MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-03-16 US disclosed
EP-0498184-A2 Organic nonlinear optical material MITSUBISHI CHEMICAL CORPORATION (JP) 1992-08-12 EP disclosed
US-5097022-A Bisazo pigments for use in electrophotographic photoconductors RICOH COMPANY, LTD. (JP) 1992-03-17 US disclosed
EP-0466094-A2 Electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 1992-01-15 EP disclosed
WO-1991003458-A1 NONLINEAR OPTICAL DEVICE FROM 3-METHYL-4-METHOXY-4'-NITROSTILBENE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-21 WO disclosed
US-4985178-A Nonlinear optical device from 3-methyl-4-methoxy-4'-nitrostilbene E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
US-4966730-A CAPABILITY OF SECOND HARMONIC GENERATION USING ELECTROOPTICAL MODULAR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-30 US disclosed
US-4961631-A Nonlinear optical devices from derivatives of stilbene E. I DU PONT DE NEMOURS AND COMPANY (US) 1990-10-09 US disclosed
US-4909964-A With optical light source and means to direct radiation E. I. DUPONT DE NEMOURS AND COMPANY (US) 1990-03-20 US disclosed
US-4486519-A HIGH PHOTOSENSITYIVITY AND FLEXIBILITY RICOH COMPANY, LTD. (JP) 1984-12-04 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 (6 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-12404298-B2 Glucocorticoid receptor agonists NR3C1, NR3C2, MC2R CA1 3448/4885CA2 1689/4885BCHE 2595/4885
US-20250353874-A1 GLUCOCORTICOID RECEPTOR AGONISTS NR3C1, NR3C2, MC2R CA1 3448/4885CA2 1689/4885BCHE 2595/4885
US-12379315-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes DNTT, NME2, DUT CA1 3978/4885CA2 3695/4885BCHE 3733/4885
US-12540278-B2 Temperature programmable small molecules for thermoresponsive smart windows and applications thereof CRY1, C1S, CRY2 CA1 331/4885CA2 615/4885BCHE 2868/4885
US-20250367188-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP3 CA1 2173/4885CA2 584/4885BCHE 3568/4885
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 EGFR, ERBB2, ERBB3 CA1 4470/4885CA2 3932/4885BCHE 4096/4885

“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.