SCHEMBL43955

SCHEMBL43955

O=c1n(O)c(=O)n(O)c(=O)n1O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1260996 0.82
SCHEMBL9361606 0.74
SCHEMBL12880323 0.73 FEN1 (0.41) KDM4E
SCHEMBL2239161 0.61
SCHEMBL17265931 0.61
SCHEMBL15247796 0.60
SCHEMBL4027836 0.50
SCHEMBL11034914 0.50
SCHEMBL4794249 0.42
SCHEMBL26665164 0.39

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583828-B2 Preparation of aromatic carbonyl compounds by catalytic oxidation with molecular oxygen BASF SE (DE) 2026-03-24 US claimed
CN-119638565-A Method for preparing benzoic acid by oxidizing toluene at room temperature 中山大学 2025-03-18 CN claimed
CN-119391047-A Preparation and application methods of functionalized oligomer based on retired polyolefin oxidative cracking 浙江大学 2025-02-07 CN claimed
CN-115087646-B Preparation of aromatic carbonyl compounds by catalytic oxidation with molecular oxygen 巴斯夫欧洲公司 2024-09-27 CN claimed
CN-117964536-A Method for preparing cyclohexylbenzene hydroperoxide by oxidizing cyclohexylbenzene 中国石油化工股份有限公司 2024-05-03 CN claimed
EP-4103555-B1 PREPARATION OF AROMATIC CARBONYL COMPOUNDS BY CATALYTIC OXIDATION WITH MOLECULAR OXYGEN BASF SE (DE) 2024-04-24 EP claimed
CN-117384028-A Synthesis method of 4-acetyl-1-naphthoic acid 济南久隆医药科技有限公司 2024-01-12 CN claimed
US-20230150954-A1 PREPARATION OF AROMATIC CARBONYL COMPOUNDS BY CATALYTIC OXIDATION WITH MOLECULAR OXYGEN BASF SE (DE) 2023-05-18 US claimed
EP-4103555-A1 PREPARATION OF AROMATIC CARBONYL COMPOUNDS BY CATALYTIC OXIDATION WITH MOLECULAR OXYGEN BASF SE (DE) 2022-12-21 EP claimed
CN-115057800-B Clean synthesis method of p-styrene sulfonate 山东星之联生物科技股份有限公司 2022-11-01 CN claimed
WO-2007093357-A1 PROCESS FOR PRODUCING SEC-BUTYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-08-23 WO claimed
WO-2007073916-A1 SELECTIVE OXIDATION OF ALKYLBENZENES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-05 WO claimed
CN-1865214-A Method for producing aromatic carboxylic acid using nitrogen oxide as catalytic additive SINOPEC YANGTZE PETROCHEMICAL (CN) 2006-11-22 CN claimed
US-5744522-A COMPRISING GLYCIDYL GROUP-CONTAINING ACRYLIC POLYMER, AROMATIC POLYESTER, ISOCYANURATE CURING AGENT MITSUI TOATSU CHEMICALS, INC. (JP) 1998-04-28 US claimed
EP-0471591-B1 Process for absorption of sulfur compounds from fluids using heterocyclic compounds having at least one ring nitrogen atom DOW CHEMICAL CO (US) 1995-05-10 EP claimed
US-5342593-A Contacting with a hydantoin, triazinone, 2,4-pyrimidinedione or oxazolidone; can be regenerated THE DOW CHEMICAL COMPANY (US) 1994-08-30 US claimed
EP-0552360-A1 A COMPOSITION AND METHOD FOR SIMULTANEOUS ABSORPTION OF SULFUR DIOXIDE AND NITRIC OXIDE THE DOW CHEMICAL COMPANY (US) 1993-07-28 EP claimed
WO-1993003825-A1 A COMPOSITION AND METHOD FOR SIMULTANEOUS ABSORPTION OF SULFUR DIOXIDE AND NITRIC OXIDE THE DOW CHEMICAL COMPANY (US) 1993-03-04 WO claimed
US-5167941-A Sulfur dioxide; cationic polyelectrolyte stabilizers THE DOW CHEMICAL COMPANY (US) 1992-12-01 US claimed
EP-0471591-A2 Process for absorption of sulfur compounds from fluids using heterocyclic compounds having at least one ring nitrogen atom THE DOW CHEMICAL COMPANY (US) 1992-02-19 EP claimed

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-20230150954-A1 PREPARATION OF AROMATIC CARBONYL COMPOUNDS BY CATALYTIC OXIDATION WITH MOLECULAR OXYGEN AOC2, TYR, TH KDM4E 1442/4885
US-12583828-B2 Preparation of aromatic carbonyl compounds by catalytic oxidation with molecular oxygen AOC2, NOX1, AOC3 KDM4E 3378/4885

“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.