SCHEMBL69005

SCHEMBL69005

[O-][S+](c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
ALOX12 P18054 1/20 0.37
AMY1A P0DUB6 1/20 0.36
NQO2 P16083 1/20 0.35
CYP19A1 P11511 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 1/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 1/20 0.33
PTPN11 Q06124 1/20 0.33
PRMT1 Q99873 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
EP300 Q09472 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CISD1 Q9NZ45 1/20 0.31

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
SCHEMBL18834055 0.83 ALOX15 (0.46) ALOX15ALOX12AMY1ACYP19A1MEN1
SCHEMBL3343299 0.78 APP (0.43) ALOX15CA12CA1CA2CA9
SCHEMBL30678710 0.78 APP (0.43) ALOX15CA12CA1CA2CA9
SCHEMBL270714 0.73 CYP3A4 (0.50) ALOX15ALOX12MEN1KMT2AHSP90AA1
SCHEMBL7917294 0.73 ESR1 (0.38) CYP19A1ESR1ESR2CA9SNCA
SCHEMBL14575356 0.73 ESR1 (0.31) ESR1
SCHEMBL1683994 0.73 GAA (0.47) ALOX15ALOX12MEN1KMT2AHSP90AA1
SCHEMBL940156 0.73 CA1 (0.47) MEN1KMT2APTPN11CA12CA1
SCHEMBL72006 0.73 TP53 (0.50) ALOX15ALOX12ESR1ESR2
SCHEMBL69521 0.73 HSD17B10 (0.50) NQO2HSP90AA1ESR1ESR2CA1

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 ALOX15 1966/4885ALOX12 1847/4885AMY1A 2199/4885

“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.