SCHEMBL419807

SCHEMBL419807

O=C(COCc1ccccc1)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
MAPK1 P28482 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
TDP1 Q9NUW8 2/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.54
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
CDC25B P30305 1/20 0.49
PAM P19021 1/20 0.48
GRM5 P41594 1/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 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
SCHEMBL11402448 0.91 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL3439041 0.90 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL23684580 0.89 PAM (0.65) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL6416798 0.89 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL1934676 0.88 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL12304981 0.87 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL7622099 0.87 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL52219 0.87 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL11632800 0.86 TSHR (0.56) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL16672853 0.85 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2

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-20140343039-A1 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS ROBIN JEAN-PIERRE (CH) 2014-11-20 US claimed
US-20120022250-A1 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS ROBIN JEAN-PIERRE (CH) 2012-01-26 US claimed
WO-2011160216-A2 COMPOUNDS USEFUL IN IMAGING AND THERAPY THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2011-12-29 WO claimed
WO-2010103405-A2 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS ROBIN JEAN-PIERRE (CH) 2010-09-16 WO claimed
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed
US-20140343039-A1 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS ROBIN JEAN-PIERRE (CH) 2014-11-20 US disclosed
US-20120022250-A1 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS ROBIN JEAN-PIERRE (CH) 2012-01-26 US disclosed
WO-2010103405-A2 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS ROBIN JEAN-PIERRE (CH) 2010-09-16 WO disclosed
US-7718781-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-18 US disclosed
WO-2007121453-A2 2-HYDROXY-1-OXO 1,2 DIHYDRO ISOQUINOLINE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-25 WO disclosed
US-20050090668-A1 Preparation of 5-hydroxy-6-oxo-1,6-dihydropyrimidine compounds DREHER SPENCER D (US) 2005-04-28 US disclosed
US-6846915-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-25 US disclosed
US-20050008570-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-13 US disclosed
EP-1423399-A2 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-06-02 EP disclosed
US-20030095922-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-05-22 US disclosed
WO-2003016923-A2 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-02-27 WO disclosed
CN-1190962-A Process for the preparation of substituted 5-hydroxy-oxazolidin-4-one ZENECA LTD (GB) 1998-08-19 CN 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 (4 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-20050008570-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents HAMP, GDI1, MPI ALDH1A1 2521/4885MAPK1 4523/4885L3MBTL1 4779/4885
US-20050090668-A1 Preparation of 5-hydroxy-6-oxo-1,6-dihydropyrimidine compounds DPYD, DHODH, DHPS ALDH1A1 856/4885MAPK1 1712/4885L3MBTL1 3351/4885
US-20120022250-A1 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS CHRM1, OPRM1, CHRM2 ALDH1A1 3005/4885MAPK1 3951/4885L3MBTL1 1420/4885
US-20140343039-A1 PROCESS FOR PREPARING CEPHALOTAXINE ESTERS CFH, C5, CHRM1 ALDH1A1 1057/4885MAPK1 3516/4885L3MBTL1 2702/4885

“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.