SCHEMBL70525

SCHEMBL70525

O=[N+]([O-])c1c(O)c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.44
GPR35 Q9HC97 5/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 2/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL22288284 0.97 S100A4 (0.46) S100A4GPR35MEN1KMT2AHTT
SCHEMBL28204837 0.94 S100A4 (0.44) S100A4GPR35MEN1KMT2AHTT
SCHEMBL1502113 0.94 S100A4 (0.48) S100A4GPR35MEN1KMT2AHTT
SCHEMBL20985115 0.94 S100A4 (0.48) S100A4GPR35MEN1KMT2AHTT
SCHEMBL3083248 0.94 S100A4 (0.48) S100A4GPR35MEN1KMT2AHTT
Water SCHEMBL3516244 0.90 S100A4 (0.46) S100A4GPR35MEN1KMT2AHTT
SCHEMBL5860030 0.90 S100A4 (0.46) S100A4GPR35MEN1KMT2AHTT
SCHEMBL31123045 0.90 S100A4 (0.46) S100A4GPR35MEN1KMT2AHTT
SCHEMBL28726007 0.90 S100A4 (0.46) S100A4GPR35MEN1KMT2AHTT
SCHEMBL28666838 0.90 S100A4 (0.46) S100A4GPR35MEN1KMT2AHTT

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 5 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

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 S100A4 1992/4885GPR35 2050/4885MEN1 4831/4885

“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.