SCHEMBL68433

SCHEMBL68433

O=[N+]([O-])c1cc(Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 8/20 0.63
ALDH1A1 P00352 4/20 0.63
HPGD P15428 2/20 0.63
MAPK1 P28482 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CYP2C9 P11712 2/20 0.63
HIF1A Q16665 2/20 0.63
HSD17B10 Q99714 2/20 0.63
CYP1A2 P05177 2/20 0.63
KDM4E B2RXH2 1/20 0.63
TTR P02766 1/20 0.63
MAPT P10636 1/20 0.63
ALOX15 P16050 1/20 0.63
ALOX12 P18054 1/20 0.63
RECQL P46063 1/20 0.63
PMP22 Q01453 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
SNCA P37840 1/20 0.53
TP53 P04637 1/20 0.48

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
SCHEMBL5083326 0.87 GPR35 (0.62) GPR35ALDH1A1HPGDMAPK1MEN1
Trinitrophenol SCHEMBL29385517 0.86 GPR35 (0.76) GPR35ALDH1A1HPGDMAPK1MEN1
SCHEMBL27642633 0.85 GPR35 (0.51) GPR35ALDH1A1HPGDMAPK1MEN1
Trinitrophenol SCHEMBL253750 0.83 GPR35 (0.79) GPR35ALDH1A1HPGDMAPK1MEN1
Trinitrophenol SCHEMBL8744 0.83 GPR35 (0.79) GPR35ALDH1A1HPGDMAPK1MEN1
Nitroclofene SCHEMBL2109767 0.83 GPR35 (0.62) GPR35ALDH1A1HPGDMAPK1MEN1
Nitroclofene SCHEMBL29540074 0.83 GPR35 (0.62) GPR35ALDH1A1HPGDMAPK1MEN1
SCHEMBL5080677 0.82 GPR35 (0.57) GPR35ALDH1A1HPGDMAPK1MEN1
Trinitrophenol SCHEMBL2197458 0.81 GPR35 (0.76) GPR35ALDH1A1HPGDMAPK1MEN1
Trinitrophenol SCHEMBL9140811 0.81 GPR35 (0.76) GPR35ALDH1A1HPGDMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
EP-0078981-B1 LIGHT-SENSITIVE COMPOSITION AND LIGHT-SENSITIVE COPY MATERIAL MADE THEREFROM HOECHST AKTIENGESELLSCHAFT (DE) 1986-05-07 EP disclosed
US-4457999-A Light-sensitive 1,2 quinone diazide containing mixture and light-sensitive copying material prepared therefrom wherein imaged produced therein is visible under yellow safety light HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-03 US disclosed
EP-0078981-A2 Light-sensitive composition and light-sensitive copy material made therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-18 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 (1 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 GPR35 2050/4885ALDH1A1 1882/4885HPGD 3275/4885

“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.