SCHEMBL68284

SCHEMBL68284

COc1ccc([N+](=O)[O-])c(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 4/20 0.53
GPR35 Q9HC97 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
G6PD P11413 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYP3A4 P08684 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EGFR P00533 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 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
SCHEMBL5322745 0.85 ALDH1A1 (0.50) TDP1ALDH1A1GPR35L3MBTL1LMNA
SCHEMBL7696511 0.85 TDP1 (0.50) TDP1ALDH1A1GPR35L3MBTL1LMNA
SCHEMBL8349793 0.85 ALDH1A1 (0.50) TDP1ALDH1A1GPR35L3MBTL1LMNA
SCHEMBL9023924 0.85 ALDH1A1 (0.50) TDP1ALDH1A1GPR35L3MBTL1LMNA
SCHEMBL19435537 0.84 TDP1 (0.49) TDP1ALDH1A1GPR35L3MBTL1LMNA
SCHEMBL2545076 0.84 ALDH1A1 (0.49) TDP1ALDH1A1GPR35L3MBTL1LMNA
SCHEMBL6816142 0.84 G6PD (0.51) TDP1ALDH1A1GPR35L3MBTL1LMNA
SCHEMBL22804240 0.84 ALDH1A1 (0.49) TDP1ALDH1A1GPR35L3MBTL1LMNA
SCHEMBL31444118 0.83 ALDH1A1 (0.67) TDP1ALDH1A1GPR35L3MBTL1LMNA
SCHEMBL645594 0.83 ALDH1A1 (0.67) TDP1ALDH1A1GPR35L3MBTL1LMNA

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

“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.