SCHEMBL70858

SCHEMBL70858

O=[N+]([O-])c1cc(O)c(O)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.67
ALOX15 P16050 3/20 0.55
ALOX12 P18054 2/20 0.55
GPR35 Q9HC97 5/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
TTR P02766 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
RECQL P46063 1/20 0.54
PMP22 Q01453 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL10575433 0.89 SNCA (0.61) SNCAALOX15ALOX12GPR35ALDH1A1
SCHEMBL227018 0.89 GPR35 (0.56) SNCAALOX15ALOX12GPR35ALDH1A1
SCHEMBL16974397 0.89 GPR35 (0.56) SNCAALOX15ALOX12GPR35ALDH1A1
SCHEMBL11835122 0.88 GPR35 (0.60) SNCAALOX15ALOX12GPR35ALDH1A1
Methane SCHEMBL27364322 0.87 SNCA (0.59) SNCAALOX15ALOX12GPR35ALDH1A1
SCHEMBL10942341 0.83 ALDH1A1 (0.71) SNCAALOX15ALOX12GPR35ALDH1A1
SCHEMBL69019 0.83 SNCA (0.55) SNCAALOX15ALOX12GPR35ALDH1A1
SCHEMBL7937707 0.83 SNCA (0.55) SNCAALOX15ALOX12GPR35ALDH1A1
SCHEMBL68172 0.83 ALDH1A1 (0.71) SNCAALOX15ALOX12GPR35ALDH1A1
SCHEMBL4368022 0.83 GPR35 (0.54) SNCAALOX15ALOX12GPR35ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003317-A A kind of silicone elastomer and its preparation method and application 四川大学 2018-05-08 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-2012158303-A2 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 WO 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
US-4210498-A CAMMA-PYRONES, NITRATED CATECHOLS, AND FLAVONES AS CHELATING AGENTS MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1980-07-01 US claimed
CN-115741507-A Diamond composite material for cutting blade and preparation method thereof 南通同普新材料科技有限公司 2023-03-07 CN disclosed
CN-108003317-A A kind of silicone elastomer and its preparation method and application 四川大学 2018-05-08 CN disclosed
US-20120296123-A1 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US disclosed
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US disclosed
WO-2012158303-A2 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 WO disclosed
WO-2012158302-A2 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 WO disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP 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-5225406-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0484881-A2 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1992-05-13 EP disclosed
US-5084453-A Antibiotics, bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-01-28 US disclosed
US-5061794-A Effective against pseudomonads BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
EP-0346465-A1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 EP disclosed
EP-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 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 SNCA 3733/4885ALOX15 1981/4885ALOX12 1488/4885
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF PARG, PARN, AADAC SNCA 3736/4885ALOX15 1507/4885ALOX12 861/4885

“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.