SCHEMBL1332334

SCHEMBL1332334

O=C(O)c1nccc(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.48
ASPH Q12797 5/20 0.48
KDM8 Q8N371 5/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4A O75164 3/20 0.39
EGLN1 Q9GZT9 3/20 0.39
HIF1AN Q9NWT6 2/20 0.39
RAB9A P51151 1/20 0.39
MYC P01106 1/20 0.38

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
SCHEMBL14818769 0.80 PDE3B (0.43) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL4220452 0.80 KDM4E (0.41) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL1002512 0.80 KDM4E (0.52) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL19857460 0.80 KDM4E (0.62) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL3798200 0.78 KDM4E (0.46) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL2238874 0.78 DPP4 (0.47) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL14284234 0.78 KDM4E (0.46) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL3112069 0.78 KDM4E (0.50) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL4443123 0.78 KDM4E (0.46) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL31500594 0.78 DPP4 (0.47) KDM4EASPHKDM8ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9673030-B2 Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry EMORY UNIVERSITY (US) 2017-06-06 US disclosed
EP-1489174-B1 METHOD OF MODIFYING PROTEIN PROPERTIES NAT INST OF TECHNOLOGY AND EVALUATION (JP) 2015-08-12 EP disclosed
US-20130316401-A1 Method for Modifying a Property of a Protein AJINOMOTO CO., INC. (JP) 2013-11-28 US disclosed
US-8510053-B2 Method for modifying a property of a protein AJINOMOTO CO., INC. (JP) 2013-08-13 US disclosed
US-20110282587-A1 COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY EMORY UNIVERSITY (US) 2011-11-17 US disclosed
US-7560565-B2 Method for preparing derivatives of 3-hydroxypicolinic acid BAYER CROPSCIENCE SA (FR) 2009-07-14 US disclosed
US-20080176266-A1 Biomarkers Of Metabolic Responses To Hepatotoxicants And Carcinogens METABOLON, INC. 2008-07-24 US disclosed
US-20060040995-A1 Method for preparing hydroxypicolinic scid derivatives AVENTIS CROPSCIENCE, S.A. (FR) 2006-02-23 US disclosed
US-20050233308-A1 Method for modifying a property of a protein AJINOMOTO CO., INC. (JP) 2005-10-20 US disclosed
EP-1489174-A1 METHOD OF MODIFYING PROTEIN PROPERTIES National Institute of Technology and Evaluation (JP) 2004-12-22 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-20060040995-A1 Method for preparing hydroxypicolinic scid derivatives CYP2F1, CYP21A2, CYP26B1 KDM4E 3035/4885ASPH 509/4885KDM8 3419/4885

“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.