SCHEMBL5490546

SCHEMBL5490546

COc1cc(CC(=O)O)cc(-c2cc(CC(=O)O)cc(OC)c2O)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.60
ALDH1A1 P00352 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TNKS2 Q9H2K2 3/20 0.57
ALOX5 P09917 3/20 0.50
TNKS O95271 1/20 0.50
CA5A P35218 2/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
PKM P14618 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47

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
SCHEMBL1278855 0.91 GAA (0.66) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL30712036 0.89 GAA (0.70) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL31103566 0.87 GAA (0.67) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL8072165 0.87 GAA (0.67) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL13586551 0.84 GAA (0.58) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL5012985 0.83 THRA (0.60) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL1525495 0.83 GAA (0.57) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL11156508 0.83 GAA (0.57) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL14666294 0.81 GAA (0.55) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL2560283 0.80 LMNA (0.64) GAAALDH1A1TSHRNFKB1TDP1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012113371-A1 DETECTION OF DIMERIC CATECHOLAMINE METABOLITES AS INDICATORS OF NEURODEGENERATIVE DISEASES Thanares GmbH (DE) 2012-08-30 WO claimed
WO-2012113371-A1 DETECTION OF DIMERIC CATECHOLAMINE METABOLITES AS INDICATORS OF NEURODEGENERATIVE DISEASES Thanares GmbH (DE) 2012-08-30 WO disclosed
US-20070275944-A1 Antioxidants and methods of their use THE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2007-11-29 US disclosed
WO-2007117558-A2 ANTIOXIDANTS AND METHODS OF THEIR USE MICHIGAN STATE UNIVERSITY (US) 2007-10-18 WO disclosed
US-20030003497-A1 Identification of gene sequences and gene products and their specific function and relationship to pathologies in a mammal MILAGEN, INC. 2003-01-02 US disclosed
US-20020106688-A1 IDENTIFICATION OF GENE SEQUENCES AND GENE PRODUCTS AND THEIR SPECIFIC FUNCTION AND RELATIONSHIP TO PATHOLOGIES IN A MAMMAL MILAGEN, INC. 2002-08-08 US disclosed
US-5625081-A XANTHENE DYE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-04-29 US disclosed
US-5608063-A Method, system and reagents for DNA sequencing E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-04 US disclosed
US-5558991-A DNA sequencing method using acyclonucleoside triphosphates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-24 US disclosed
EP-0309969-B1 Method of gene mapping DU PONT (US) 1995-07-19 EP disclosed
US-5242796-A Fluorescent xanthene dye E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-07 US disclosed
EP-0185547-B1 POLYNUCLEOTIDE HYBRIDIZATION ASSAYS EMPLOYING CATALYZED LUMINESCENCE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-03 EP disclosed
US-5102785-A Cleaving to produce DNA fragment which are then end labeled with reporter, again cleaved to produce short fragment, separatiion; analysis E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-07 US disclosed
EP-0135092-B1 METHOD FOR DETERMINATION OF AMMONIA Yamasa Shoyu Kabushiki Kaisha (JP) 1990-07-25 EP disclosed
EP-0309969-A2 Method of gene mapping E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-05 EP disclosed
US-4670379-A Polynucleotide hydridization assays employing catalyzed luminescence E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-06-02 US disclosed
US-4614714-A Use of novel L-glutamic acid oxidase YAMASA SHOYU KABUSHIKI KAISHA (JP) 1986-09-30 US disclosed
EP-0185547-A2 Polynucleotide hybridization assays employing catalyzed luminescence E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-06-25 EP disclosed
EP-0135092-A2 Method for determination of ammonia Yamasa Shoyu Kabushiki Kaisha (JP) 1985-03-27 EP disclosed
EP-0097949-A2 L-glutamic acid oxidase, its production, and its use Yamasa Shoyu Kabushiki Kaisha (JP) 1984-01-11 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-20070275944-A1 Antioxidants and methods of their use GPX1, GPX4, SOD1 GAA 887/4885ALDH1A1 408/4885TSHR 4332/4885

“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.