SCHEMBL69389

SCHEMBL69389

O=[N+]([O-])c1cc(O)cc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TSHR P16473 3/20 0.60
ALOX15 P16050 2/20 0.60
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.56
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
CYP19A1 P11511 1/20 0.55
GPR35 Q9HC97 6/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TTR P02766 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX12 P18054 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL9265700 1.00 ALDH1A1 (0.60) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL593064 0.94 CYP19A1 (0.62) ALDH1A1TSHRALOX15MEN1KMT2A
Water SCHEMBL28180935 0.92 CYP19A1 (0.59) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL29381787 0.92 CYP19A1 (0.59) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL30387741 0.92 CYP19A1 (0.59) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL219621 0.84 ALDH1A1 (0.50) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL28807368 0.84 ALDH1A1 (0.50) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL29739618 0.84 ALDH1A1 (0.50) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL1718796 0.84 ALDH1A1 (0.50) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL3913976 0.84 ALDH1A1 (0.50) ALDH1A1TSHRALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116284665-B High-temperature-resistant polyurethane heat-insulating pipe and preparation method thereof 河北乾海管道制造有限公司 2023-10-03 CN claimed
CN-116284665-A High-temperature-resistant polyurethane heat-insulating pipe and preparation method thereof 河北乾海管道制造有限公司 2023-06-23 CN claimed
CN-116283933-A Near infrared fluorescent probe and preparation method and application thereof 南京工业大学 2023-06-23 CN claimed
CN-113444307-A High-toughness impact-resistant polyethylene communication pipe 安徽瑞丰管业有限公司 2021-09-28 CN 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
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US claimed
WO-2012158302-A2 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 WO 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
JP-4089465-A None JP disclosed
CN-112234149-B Display panel, display device and manufacturing method of display panel 京东方科技集团股份有限公司 2024-04-16 CN disclosed
CN-116284665-B High-temperature-resistant polyurethane heat-insulating pipe and preparation method thereof 河北乾海管道制造有限公司 2023-10-03 CN disclosed
CN-116284665-A High-temperature-resistant polyurethane heat-insulating pipe and preparation method thereof 河北乾海管道制造有限公司 2023-06-23 CN disclosed
CN-116283933-A Near infrared fluorescent probe and preparation method and application thereof 南京工业大学 2023-06-23 CN disclosed
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 US disclosed
EP-1720828-A2 HEPARANASE INHIBITORS AND USES THEREOF Insight Biopharmaceuticals Ltd (IL) 2006-11-15 EP disclosed
WO-2005074375-A2 HEPARANASE INHIBITORS AND USES THEREOF INSIGHT BIOPHARMACEUTICALS LTD (IL) 2005-08-18 WO disclosed
WO-2002060375-A2 DIPHENYL ETHER DERIVATIVES AND THEIR USES AS HEPARANASE INHIBITORS INSIGHT STRATEGY AND MARKETING LTD (IL) 2002-08-08 WO disclosed
EP-0455247-B1 m-Phenylenediamine compound and electrophotosensitive material using said compound MITA INDUSTRIAL CO LTD (JP) 1995-09-13 EP disclosed
JP-H0489465-A PRODUCTION OF AROMATIC ISOCYANATE TOKUYAMA SODA CO LTD 1992-03-23 JP disclosed
EP-0455247-A2 m-Phenylenediamine compound and electrophotosensitive material using said compound MITA INDUSTRIAL CO. LTD. (JP) 1991-11-06 EP 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-20120296123-A1 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF PFAS, PARG, PARN ALDH1A1 3081/4885TSHR 4605/4885ALOX15 1981/4885
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF PARG, PARN, AADAC ALDH1A1 2966/4885TSHR 4682/4885ALOX15 1507/4885

“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.