SCHEMBL68977

SCHEMBL68977

Cc1c([N+](=O)[O-])c(O)c([N+](=O)[O-])c(O)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
S100A4 P26447 1/20 0.40
IMPDH2 P12268 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
TSHR P16473 1/20 0.35
GALR3 O60755 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL27851200 0.95 GPR35 (0.43) GPR35ALDH1A1TDP1S100A4IMPDH2
SCHEMBL15957619 0.90 GPR35 (0.43) GPR35ALDH1A1TDP1S100A4IMPDH2
Methyl Alcohol SCHEMBL29086936 0.86 S100A4 (0.44) GPR35ALDH1A1TDP1S100A4KDM4E
SCHEMBL1502113 0.86 S100A4 (0.48) GPR35ALDH1A1TDP1S100A4KDM4E
SCHEMBL20985115 0.86 S100A4 (0.48) GPR35ALDH1A1TDP1S100A4KDM4E
SCHEMBL5860030 0.83 S100A4 (0.46) GPR35ALDH1A1TDP1S100A4KDM4E
SCHEMBL28726007 0.83 S100A4 (0.46) GPR35ALDH1A1TDP1S100A4KDM4E
Water SCHEMBL3516244 0.83 S100A4 (0.46) GPR35ALDH1A1TDP1S100A4KDM4E
SCHEMBL31123045 0.83 S100A4 (0.46) GPR35ALDH1A1TDP1S100A4KDM4E
SCHEMBL28666838 0.83 S100A4 (0.46) GPR35ALDH1A1TDP1S100A4KDM4E

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 GPR35 2050/4885ALDH1A1 1882/4885TDP1 3534/4885

“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.