SCHEMBL69019

SCHEMBL69019

O=[N+]([O-])c1cc(O)c(O)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.55
ALOX15 P16050 3/20 0.47
ALOX12 P18054 2/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 2/20 0.46
GPR35 Q9HC97 4/20 0.45
MAPK1 P28482 3/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
TTR P02766 1/20 0.45

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
SCHEMBL2046172 0.89 CA12 (0.46) SNCAALOX15ALOX12CA12CA1
SCHEMBL8579982 0.89 CA12 (0.48) SNCAALOX15ALOX12CA12CA1
SCHEMBL14691657 0.84 CA12 (0.48) SNCAALOX15ALOX12CA12CA1
SCHEMBL17176117 0.84 ALDH1A1 (0.53) SNCAALOX15ALOX12CA12CA1
SCHEMBL5241380 0.84 ALDH1A1 (0.49) SNCAALOX15ALOX12CA12CA1
SCHEMBL1017196 0.84 MAPT (0.49) SNCAALOX15ALOX12CA12CA1
SCHEMBL10549400 0.84 CYP1A2 (0.47) SNCAALOX15ALOX12CA12CA1
SCHEMBL9452645 0.83 ALDH1A1 (0.52) ALDH1A1CYP3A4GPR35MAPK1HPGD
SCHEMBL70858 0.83 SNCA (0.67) SNCAALOX15ALOX12CA12CA1
SCHEMBL27708019 0.82 GPR35 (0.50) SNCAALOX15ALOX12CA12CA1

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 6 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
US-4011181-A POLYURETHANE FOAMS CONTAINING STANNOUS CATECHOL DERIVATIVES OLIN CORPORATION (US) 1977-03-08 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 SNCA 3983/4885ALOX15 1966/4885ALOX12 1847/4885

“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.