SCHEMBL4363348

SCHEMBL4363348

O=[N+]([O-])c1c(O)ccc(O)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.60
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
S100A4 P26447 1/20 0.48
CYP3A4 P08684 1/20 0.46
HIF1A Q16665 1/20 0.46
CTSB P07858 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MCL1 Q07820 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL145978 0.88 GPR35 (0.67) GPR35TP53HPGDTSHRMAPK1
SCHEMBL28420685 0.87 ESR1 (0.58) GPR35ESR1ESR2TP53HPGD
SCHEMBL29652066 0.87 GPR35 (0.54) GPR35ESR1ESR2TP53HPGD
Hydrochloric Acid SCHEMBL6372499 0.86 GPR35 (0.64) GPR35TP53HPGDTSHRMAPK1
SCHEMBL17512851 0.86 GPR35 (0.64) GPR35TP53HPGDTSHRMAPK1
SCHEMBL888475 0.86 GPR35 (0.64) GPR35TP53HPGDTSHRMAPK1
SCHEMBL28638066 0.86 GPR35 (0.64) GPR35TP53HPGDTSHRMAPK1
SCHEMBL8639546 0.86 GPR35 (0.48) GPR35ESR1ESR2TP53HPGD
SCHEMBL2881308 0.86 ALDH1A1 (0.56) GPR35ESR1ESR2TP53HPGD
SCHEMBL7063757 0.86 GPR35 (0.48) GPR35ESR1ESR2TP53HPGD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP claimed
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US 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
WO-2012158302-A2 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 WO disclosed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US disclosed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US disclosed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US disclosed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP disclosed
EP-0633915-A1 A METHOD AND LIQUID COMPOSITION FOR THE PRODUCTION OF INDELIBLE SCRIPT ON A PAPER SUBSTRATE SEGALLA, Gabriele (IT) 1995-01-18 EP disclosed
WO-1993020160-A1 A METHOD AND LIQUID COMPOSITION FOR THE PRODUCTION OF INDELIBLE SCRIPT ON A PAPER SUBSTRATE SEGALLA GABRIELE (IT) 1993-10-14 WO disclosed
US-4355141-A NITROGEN-COMPOUND CONTAINING RESOLE RESIN PREVENTS STICKING MITSUI TOATSU CHEMICAL, INC. (JP) 1982-10-19 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 (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 GPR35 3412/4885ESR1 915/4885ESR2 2607/4885
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF PARG, PARN, AADAC GPR35 3445/4885ESR1 1088/4885ESR2 2333/4885

“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.