SCHEMBL70085

SCHEMBL70085

O=[N+]([O-])c1ccc(O)c(O)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.59
HPGD P15428 3/20 0.52
TSHR P16473 3/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HIF1A Q16665 2/20 0.52
CYP3A4 P08684 1/20 0.52
CTSB P07858 1/20 0.52
MAPK1 P28482 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
CASP6 P55212 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
CA12 O43570 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
SCHEMBL16974400 0.86 GPR35 (0.60) GPR35HPGDTSHRTP53SMN1; SMN2
SCHEMBL4958698 0.86 GPR35 (0.60) GPR35HPGDTSHRTP53SMN1; SMN2
SCHEMBL145978 0.84 GPR35 (0.67) GPR35HPGDTSHRTP53SMN1; SMN2
SCHEMBL29652066 0.84 GPR35 (0.54) GPR35HPGDTSHRTP53SMN1; SMN2
SCHEMBL888475 0.83 GPR35 (0.64) GPR35HPGDTSHRTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL6372499 0.83 GPR35 (0.64) GPR35HPGDTSHRTP53SMN1; SMN2
SCHEMBL29533001 0.83 GPR35 (0.59) GPR35HPGDTSHRTP53SMN1; SMN2
SCHEMBL17512851 0.83 GPR35 (0.64) GPR35HPGDTSHRTP53SMN1; SMN2
SCHEMBL28638066 0.83 GPR35 (0.64) GPR35HPGDTSHRTP53SMN1; SMN2
SCHEMBL27270155 0.83 GPR35 (0.64) GPR35HPGDTSHRTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580776-B2 Compositions and methods for treating neurodegenerating diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-11-12 US claimed
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US claimed
US-20120296123-A1 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US claimed
WO-2012158303-A2 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 WO claimed
US-20110086845-A1 Compositions and Methods for Treating Neurodegenerating Diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-04-14 US claimed
WO-1998059016-A1 COMPOSITION AND METHOD FOR INHIBITING RADICAL POLYMERISATION OF ETHYLENICALLY UNSATURATED AROMATIC MONOMERS RHODIA CHIMIE (FR) 1998-12-30 WO claimed
US-4210498-A CAMMA-PYRONES, NITRATED CATECHOLS, AND FLAVONES AS CHELATING AGENTS MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1980-07-01 US claimed
US-12473454-B2 Water-based extrusion primer for polyethylene HENKEL AG & CO. KGAA (DE) 2025-11-18 US disclosed
US-12227668-B2 Use of preformed reaction products of catechol compounds and functionalized co-reactant compounds to reduce oxidation of bare metal surfaces HENKEL AG & CO. KGAA (DE) 2025-02-18 US disclosed
US-20240254317-A1 DOPANT SOLUTION FOR CONDUCTIVE POLYMER, MONOMER LIQUID FOR PRODUCING CONDUCTIVE POLYMER, CONDUCTIVE COMPOSITION AND METHOD FOR PRODUCING SAME, AND ELECTROLYTIC CAPACITOR AND METHOD FOR PRODUCING SAME TAYCA CORPORATION (JP) 2024-08-01 US disclosed
EP-3559312-B1 REACTION PRODUCTS OF CATECHOL COMPOUNDS AND FUNCTIONALIZED CO-REACTANT COMPOUNDS FOR METAL PRETREATMENT APPLICATIONS HENKEL AG & CO KGAA (DE) 2024-04-24 EP disclosed
EP-3558667-B1 TREATMENT OF CONVERSION-COATED METAL SUBSTRATES WITH PREFORMED REACTION PRODUCTS OF CATECHOL COMPOUNDS AND FUNCTIONALIZED CO-REACTANT COMPOUNDS HENKEL AG & CO KGAA (DE) 2024-03-20 EP disclosed
US-11891534-B2 Treatment of conversion-coated metal substrates with preformed reaction products of catechol compounds and functionalized co-reactant compounds HENKEL AG & CO. KGAA (DE) 2024-02-06 US disclosed
US-5439570-A Destroying tumors, viruses; magnetic resonance imaging BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-08-08 US disclosed
US-5432171-A Water soluble texaphyrin metal complexes for viral deactivation BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-07-11 US disclosed
EP-0623134-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-11-09 EP disclosed
US-5252720-A Medical uses BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-10-12 US disclosed
WO-1993014093-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-07-22 WO disclosed
US-4246052-A REDUCED AND DIAZOTIZED TO FORM THE IGNITING AGENTS FOR PRIMERS AND EXPLOSIVES BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed
US-4210498-A CAMMA-PYRONES, NITRATED CATECHOLS, AND FLAVONES AS CHELATING AGENTS MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1980-07-01 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 (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-20120296123-A1 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF PFAS, PARG, PARN GPR35 3412/4885HPGD 403/4885TSHR 4605/4885
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF PARG, PARN, AADAC GPR35 3445/4885HPGD 1425/4885TSHR 4682/4885
US-20240254317-A1 DOPANT SOLUTION FOR CONDUCTIVE POLYMER, MONOMER LIQUID FOR PRODUCING CONDUCTIVE POLYMER, CONDUCTIVE COMPOSITION AND METHOD FOR PRODUCING SAME, AND ELECTROLYTIC CAPACITOR AND METHOD FOR PRODUCING SAME ADCY10, ADCY1, ADH1A GPR35 690/4885HPGD 592/4885TSHR 4215/4885

“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.