SCHEMBL2431693

SCHEMBL2431693

O=C1OC(=O)c2c(O)ccc(O)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.50
MAPT P10636 6/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
AURKA O14965 2/20 0.50
CDC25B P30305 2/20 0.50
AURKB Q96GD4 2/20 0.50
TXNRD1 Q16881 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
COPS5 Q92905 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
TDP1 Q9NUW8 6/20 0.42
ALDH1A1 P00352 6/20 0.42
ALOX15 P16050 5/20 0.42
HPGD P15428 5/20 0.42
TSHR P16473 5/20 0.42
HSD17B10 Q99714 4/20 0.42
MAPK1 P28482 4/20 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
SCHEMBL30811932 0.81 MAOA (0.44) MAOAMAPTMEN1KMT2AAURKA
SCHEMBL18016202 0.81 ALDH1A1 (0.42) MAOAMAPTMEN1KMT2AAURKA
SCHEMBL382951 0.78 MAOA (0.58) MAOAMAPTMEN1KMT2AAURKA
SCHEMBL29568960 0.78 MAOA (0.58) MAOAMAPTMEN1KMT2AAURKA
SCHEMBL8693513 0.78 MAOA (0.53) MAOAMAPTMEN1KMT2ACYP1A1
SCHEMBL12465552 0.74 CSNK2A2 (0.52) MAOAMAPTMEN1KMT2AAURKA
SCHEMBL30811182 0.74 KDM4E (0.50) MAOAMAPTMEN1KMT2AAURKA
SCHEMBL29181626 0.74 KDM4E (0.50) MAOAMAPTMEN1KMT2AAURKA
SCHEMBL7750777 0.73 TYMS (0.62) MAOAMAPTMEN1KMT2AAURKA
SCHEMBL3189743 0.72 MAPT (0.44) MAOAMAPTMEN1KMT2AAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10538666-B2 Compound, polymer, film, and optical device SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-01-21 US disclosed
US-20190233643-A1 COMPOUND, POLYMER, FILM, AND OPTICAL DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-01 US disclosed
US-20110263540-A1 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2011-10-27 US disclosed
US-20110263540-A1 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2011-10-27 US disclosed
EP-2215082-B1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2011-09-21 EP disclosed
EP-2007735-B1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
WO-2010053606-A9 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2010-09-02 WO disclosed
US-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
EP-2215082-A1 PHTHALAZINE AND PYRIDO Ý3,4-D¨PYRIDAZ INE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-08-11 EP disclosed
US-20100184770-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-07-22 US disclosed
EP-2091538-A2 4-BENZYL-L(2H)-PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
WO-2009047336-A1 PHTHALAZINE AND PYRIDO [3,4-D] PYRIDAZ INE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-04-16 WO disclosed
EP-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
WO-2008074803-A2 4-BENZYL-L ( 2H) -PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 US disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed
US-4250007-A Photocurable acrylic phosphate esters of epoxidized polybutadiene UBE INDUSTRIES, LTD. (JP) 1981-02-10 US disclosed
US-4021457-A Intermediates for polycyclic quinonoid antibiotics RESEARCH CORPORATION (US) 1977-05-03 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 (5 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-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS HRH4, HRH2, HRH1 MAOA 833/4885MAPT 875/4885MEN1 1257/4885
US-20100184770-A1 COMPOUNDS CMA1, TSLP, IL5 MAOA 239/4885MAPT 1356/4885MEN1 318/4885
US-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 MAOA 152/4885MAPT 1387/4885MEN1 621/4885
US-20110263540-A1 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MRPS27, MRPS22, MRPS23 MAOA 3450/4885MAPT 3004/4885MEN1 2268/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 MAOA 656/4885MAPT 2806/4885MEN1 1160/4885

“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.