SCHEMBL2050404

SCHEMBL2050404

O=C(O)Cc1ccc(O)c(-c2cc(CC(=O)O)ccc2O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.73
KDM4E B2RXH2 5/20 0.73
HPGD P15428 5/20 0.73
TSHR P16473 4/20 0.73
MAPT P10636 4/20 0.73
HSD17B10 Q99714 4/20 0.73
NFKB1 P19838 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
LMNA P02545 2/20 0.73
RGS12 O14924 1/20 0.73
POLB P06746 1/20 0.73
APEX1 P27695 1/20 0.73
THPO P40225 1/20 0.73
BLM P54132 1/20 0.73
GNAI1 P63096 1/20 0.73
PMP22 Q01453 1/20 0.73
HIF1A Q16665 1/20 0.73
CA2 P00918 2/20 0.66
ALDH1A1 P00352 5/20 0.59
CAMK2A Q9UQM7 1/20 0.56

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
SCHEMBL11288680 0.87 GAA (0.61) GAAKDM4EHPGDTSHRMAPT
3,4-Dihydroxyphenylacetic Acid SCHEMBL29382155 0.84 GAA (1.00) GAAKDM4EHPGDTSHRMAPT
3,4-Dihydroxyphenylacetic Acid SCHEMBL36348 0.84 GAA (1.00) GAAKDM4EHPGDTSHRMAPT
SCHEMBL14768434 0.83 KDM4E (0.53) GAAKDM4EHPGDTSHRMAPT
3,4-Dihydroxyphenylacetic Acid SCHEMBL8214147 0.83 GAA (0.96) GAAKDM4EHPGDTSHRMAPT
3,4-Dihydroxyphenylacetic Acid SCHEMBL8214151 0.83 GAA (0.96) GAAKDM4EHPGDTSHRMAPT
SCHEMBL30712036 0.81 GAA (0.70) GAAKDM4EHPGDTSHRMAPT
SCHEMBL14764387 0.81 GAA (0.70) GAAKDM4EHPGDTSHRMAPT
SCHEMBL10825727 0.81 GAA (0.70) GAAKDM4EHPGDTSHRMAPT
SCHEMBL9634006 0.79 CNR1 (0.57) GAAKDM4EHPGDTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116559134-A On-line monitoring method and device for gaseous peroxide content 北京大学 2023-08-08 CN claimed
CN-116559133-A On-line monitoring method and device for gaseous peroxide content in ambient air 北京大学 2023-08-08 CN claimed
EP-1706402-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-03-18 EP claimed
EP-1706402-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-10-04 EP claimed
WO-2005066159-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2005-07-21 WO claimed
CN-116559134-A On-line monitoring method and device for gaseous peroxide content 北京大学 2023-08-08 CN disclosed
CN-116559133-A On-line monitoring method and device for gaseous peroxide content in ambient air 北京大学 2023-08-08 CN disclosed
CN-217820006-U A mixed structure for atmospheric peroxide automatic monitoring system 中国环境科学研究院 2022-11-15 CN disclosed
CN-217795847-U A mixed structure for automatic continuous monitoring system of atmosphere peroxide 中国环境科学研究院 2022-11-15 CN disclosed
US-8227510-B2 Combine use of pterostilbene and quercetin for the production of cancer treatment medicaments UNIVERSITAT DE VALENCIA (ES) 2012-07-24 US disclosed
US-20110224290-A1 COMBINE USE OF PTEROSTILBENE AND QUERCETIN FOR THE PRODUCTION OF CANCER TREATMENT MEDICAMENTS WESTERN ALLIANCE BANK 2011-09-15 US disclosed
US-20110136751-A1 Use of Polyphenols in the Treatment of Cancer GREEN MOLECULAR (ES) 2011-06-09 US disclosed
US-5306618-A Using xanthene dye reporter labeled DNA fragments E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-04-26 US 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
US-4983511-A Method and kit for detecting live microorganisms in chlorine- or bromine-treated water OLIN CORPORATION (US) 1991-01-08 US 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
EP-0185547-A2 Polynucleotide hybridization assays employing catalyzed luminescence E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-06-25 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-20110136751-A1 Use of Polyphenols in the Treatment of Cancer TP53, PGC, VHL GAA 849/4885KDM4E 1570/4885HPGD 200/4885

“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.