SCHEMBL68918

SCHEMBL68918

COc1cc(O)cc(O)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
CYP3A4 P08684 2/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 5/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 1/20 0.42
ERN1 O75460 1/20 0.41
SYNJ2 O15056 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
EGFR P00533 2/20 0.41
BLM P54132 1/20 0.41
GALR2 O43603 1/20 0.41
MAPK1 P28482 1/20 0.41
SYK P43405 1/20 0.41
VCP P55072 1/20 0.41

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
SCHEMBL5891799 0.87 CYP3A4 (0.50) MAPTCYP3A4PKMTDP1KDM4E
SCHEMBL22995882 0.84 PKM (0.44) MAPTCYP3A4PKMTDP1KDM4E
SCHEMBL22118191 0.82 ERN1 (0.44) MAPTCYP3A4PKMTDP1KDM4E
SCHEMBL2845661 0.82 HTT (0.49) MAPTCYP3A4PKMTDP1KDM4E
SCHEMBL2435955 0.82 TTR (0.45) MAPTCYP3A4PKMTDP1KDM4E
SCHEMBL28573288 0.81 KMT2A (0.39) MAPTPOLBL3MBTL1ALDH1A1LMNA
SCHEMBL231446 0.80 GPR35 (0.45) MAPTPKMTDP1KDM4EALDH1A1
SCHEMBL69213 0.79 CYP3A4 (0.50) MAPTCYP3A4PKMTDP1KDM4E
SCHEMBL26831175 0.78 XDH (0.51) MAPTPKMTDP1KDM4EPOLB
SCHEMBL14626894 0.76 ALOX5 (0.43) MAPTCYP3A4PKMALDH1A1LMNA

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 MAPT 1923/4885CYP3A4 2028/4885PKM 2664/4885

“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.