SCHEMBL68720

SCHEMBL68720

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.62
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HTT P42858 3/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
SNCA P37840 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43

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
Nitroclofene SCHEMBL2109767 0.88 GPR35 (0.62) GPR35ALDH1A1KMT2AMEN1HTT
Nitroclofene SCHEMBL29540074 0.88 GPR35 (0.62) GPR35ALDH1A1KMT2AMEN1HTT
SCHEMBL9452233 0.87 GPR35 (0.61) GPR35ALDH1A1KMT2AMEN1HTT
SCHEMBL16711769 0.84 GPR35 (0.57) GPR35ALDH1A1KMT2AMEN1HTT
SCHEMBL887770 0.84 GPR35 (0.77) GPR35ALDH1A1KMT2AMEN1HTT
SCHEMBL27979430 0.83 GPR35 (0.56) GPR35ALDH1A1KMT2AMEN1HTT
SCHEMBL16711728 0.82 GPR35 (0.54) GPR35ALDH1A1KMT2AMEN1HTT
SCHEMBL10495541 0.82 GPR35 (0.54) GPR35ALDH1A1KMT2AMEN1HTT
SCHEMBL25190069 0.80 GPR35 (0.53) GPR35ALDH1A1KMT2AMEN1HTT
SCHEMBL68433 0.79 GPR35 (0.63) GPR35ALDH1A1KMT2AMEN1HTT

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 1882/4885KMT2A 1042/4885

“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.