SCHEMBL87515

SCHEMBL87515

O=C(O)c1ccc2c(c1)[N+]([O-])([O-])c1cc(C(=O)O)ccc1O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 4/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL88813 0.80 ALOX5 (0.51) ALOX5ALDH1A1MAPK1CA2CA1
SCHEMBL6752271 0.76 ALDH1A1 (0.61) ALOX5ALDH1A1MAPK1CA2CA1
SCHEMBL69000 0.76 ALDH1A1 (0.61) ALOX5ALDH1A1MAPK1CA2CA1
SCHEMBL69322 0.76 ALDH1A1 (0.61) ALOX5ALDH1A1MAPK1CA2CA1
SCHEMBL15874173 0.75 ALDH1A1 (0.50) ALOX5ALDH1A1MAPK1CA2CA1
SCHEMBL18288092 0.71 ALOX5 (0.64) ALOX5ALDH1A1MAPK1CA2CA1
SCHEMBL11751146 0.69 ALDH1A1 (0.53) ALOX5ALDH1A1MAPK1CA2CA1
SCHEMBL28400911 0.69 ALOX5 (0.83) ALOX5ALDH1A1MAPK1CA2CA1
SCHEMBL30415182 0.69 ALOX5 (0.49) ALOX5ALDH1A1MAPK1CA2CA1
SCHEMBL11548062 0.68 CHEK1 (0.50) ALOX5ALDH1A1MAPK1CA2CA1

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 ALOX5 899/4885ALDH1A1 1882/4885MAPK1 3382/4885

“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.