SCHEMBL70168

SCHEMBL70168

O=C(O)c1cccc2c1Oc1cccc(C(=O)O)c1S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.33
MYC P01106 1/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
CDC25B P30305 1/20 0.33
TRPA1 O75762 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALB P02768 1/20 0.33
G6PD P11413 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33

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
SCHEMBL1574135 0.85 ALOX5 (0.43) ALOX5CYP2C9ALDH1A1ALOX15MYC
SCHEMBL71467 0.83 ALDH1A1 (0.44) ALOX5ALDH1A1ALOX15TSHRNR4A1
SCHEMBL29415471 0.83 ALOX5 (0.49) ALOX5CYP2C9ALDH1A1ALOX15TSHR
SCHEMBL6530620 0.77 ALDH1A1 (0.50) ALOX5CYP2C9ALDH1A1ALOX15TSHR
SCHEMBL27710338 0.75 ALDH1A1 (0.48) ALOX5CYP2C9ALDH1A1ALOX15TSHR
Water SCHEMBL27710341 0.75 ALDH1A1 (0.48) ALOX5CYP2C9ALDH1A1ALOX15TSHR
SCHEMBL27924285 0.75 ALOX5 (0.38) ALOX5CYP2C9ALDH1A1TRPA1KDM4E
Water SCHEMBL27730818 0.73 ALDH1A1 (0.46) ALOX5CYP2C9ALDH1A1ALOX15TSHR
SCHEMBL11825239 0.73 ALOX5 (0.38) ALOX5CYP2C9ALDH1A1ALOX15TRPA1
SCHEMBL6450659 0.72 TRPA1 (0.42) ALOX5CYP2C9ALDH1A1TSHRTRPA1

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 899/4885CYP2C9 2591/4885ALDH1A1 1882/4885

“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.