SCHEMBL70481

SCHEMBL70481

COC(=O)c1ccc2c(c1)Oc1cc(C(=O)OC)ccc1O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
TRPA1 O75762 1/20 0.55
CA12 O43570 3/20 0.55
CA9 Q16790 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 2/20 0.55
CA14 Q9ULX7 2/20 0.55
XDH P47989 1/20 0.55
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL70117 1.00 ALOX5 (0.59) ALOX5TRPA1CA12CA9CA1
SCHEMBL18288011 0.94 ALOX5 (0.68) ALOX5TRPA1CA12CA9CA1
SCHEMBL10847195 0.81 CA1 (0.52) ALOX5TRPA1CA12CA9CA1
SCHEMBL8660449 0.80 ALOX5 (0.52) ALOX5TRPA1CA12CA9CA1
SCHEMBL8661934 0.80 ALOX5 (0.56) ALOX5TRPA1CA12CA9CA1
SCHEMBL31473092 0.79 ALOX5 (0.51) ALOX5TRPA1CA12CA9CA1
Methyl 3,4-Methylenedioxybenzoate SCHEMBL133049 0.79 NPC1 (0.73) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL668237 0.79 KDM4E (0.62) MAPTALDH1A1KDM4EHPGDATM
SCHEMBL88813 0.79 ALOX5 (0.51) ALOX5TRPA1CA12CA9CA1
SCHEMBL8665418 0.79 ALOX5 (0.51) ALOX5TRPA1CA12CA9CA1

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 899/4885TRPA1 150/4885CA12 1221/4885

“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.