SCHEMBL1000202

SCHEMBL1000202

NNC(=O)c1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 1/20 0.48
G6PD P11413 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
MMP2 P08253 1/20 0.45
KMT2A Q03164 3/20 0.44
CTSD P07339 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
APEX1 P27695 1/20 0.44
P2RX7 Q99572 1/20 0.43
HMGB1 P09429 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL28484554 0.88 G6PD (0.53) ALDH1A1ALOX15G6PDCASP7CASP6
SCHEMBL998376 0.86 CYP1A2 (0.46) ALDH1A1ALOX15KMT2ACTSDCA1
SCHEMBL993341 0.86 CTSD (0.52) ALDH1A1KMT2ACTSDCA1CA2
SCHEMBL29017326 0.83 CTSD (0.48) ALDH1A1ALOX15G6PDCASP7CASP6
SCHEMBL400122 0.80 ALDH1A1 (0.64) ALDH1A1ALOX15KMT2ACTSDCA1
SCHEMBL31277172 0.80 ALDH1A1 (0.64) ALDH1A1ALOX15KMT2ACTSDCA1
SCHEMBL3727402 0.79 ALDH1A1 (0.44) ALDH1A1KMT2ACTSDCA1CA2
Hydrogen Peroxide SCHEMBL28103416 0.78 MAPT (0.46) ALDH1A1MMP2KMT2ACTSDCA1
Phthalic Acid SCHEMBL11856774 0.77 CTSD (0.49) ALDH1A1ALOX15KMT2ACTSDCA1
SCHEMBL7596707 0.77 GAA (0.50) ALDH1A1KMT2ACTSDCA1CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868102-B2 Method for producing a film of an aromatic amide oxadiazole polymer containing an oxadiazole structure and the film so produced TORAY INDUSTRIES, INC. (JP) 2011-01-11 US disclosed
EP-1602680-B1 AROMATIC POLYMER, FILM, ELECTROLYTE MEMBRANE AND SEPARATOR TORAY INDUSTRIES (JP) 2010-12-22 EP disclosed
EP-2258746-A2 A method for producing an aromatic polymer, film, electrolyte membrane and separator Toray Industries, Inc. (JP) 2010-12-08 EP disclosed
US-20100016521-A1 Method for producing a film of an aromatic amide oxadiazole polymer containing an oxadiazole structure and the film so produced MORIYAMA HIDEKI 2010-01-21 US disclosed
US-20090182171-A1 Compound having oxadiazole structure and a dehydration-cyclization method for producing the same MORIYAMA HIDEKI 2009-07-16 US disclosed
US-7511112-B2 Aromatic polymer, film, electrolyte membrane and separator TORAY INDUSTRIES, INC. (JP) 2009-03-31 US disclosed
US-20060204812-A1 Aromatic polymer, film, electrolyte membrane and separator MORIYAMA HIDEKI 2006-09-14 US disclosed
EP-1602680-A1 AROMATIC POLYMER, FILM, ELECTROLYTE MEMBRANE AND SEPARATOR TORAY INDUSTRIES, INC. (JP) 2005-12-07 EP 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-20090182171-A1 Compound having oxadiazole structure and a dehydration-cyclization method for producing the same OGFOD1, ODC1, OTC ALDH1A1 973/4885ALOX15 1179/4885G6PD 2018/4885

“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.