SCHEMBL6181708

SCHEMBL6181708

O=C(CCCOCc1ccccc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
TDP1 Q9NUW8 3/20 0.53
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
CDC25B P30305 1/20 0.48
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.46
EPHX2 P34913 2/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL26648126 0.92 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL1855116 0.89 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL7669911 0.89 TDP1 (0.49) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL2722347 0.89 ALOX5 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SMN1; SMN2
SCHEMBL16672704 0.87 TDP1 (0.51) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL24983131 0.87 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL3963428 0.87 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL18673 0.87 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL19996583 0.87 CA1 (0.51) ALDH1A1MAPK1L3MBTL1TDP1CDC25B
SCHEMBL24180469 0.87 CA1 (0.51) ALDH1A1MAPK1L3MBTL1TDP1CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
EP-1027349-B1 TETRAHYDROFURAN PHOSPHATE- AND HYDROXY ESTERS, AS PRODRUGS FOR THE CORRESPONDING ANTIFUNGAL AGENT SCHERING CORP (US) 2005-01-05 EP disclosed
CN-1125066-C Tetrahydrofuran hydroxy esters as prodrugs of corresponding antifungal agents SCHERING CORP (US) 2003-10-22 CN disclosed
CN-1271356-A Tetrahydrofuran phosphate- and hydroxy esters, as prodrugs for corresponding antifungal agent SCHERING CORP (US) 2000-10-25 CN disclosed
EP-1027349-A1 TETRAHYDROFURAN PHOSPHATE- AND HYDROXY ESTERS, AS PRODRUGS FOR THE CORRESPONDING ANTIFUNGAL AGENT SCHERING CORPORATION (US) 2000-08-16 EP disclosed
US-6043245-A FUNGICIDES FOR TREATING OR PREVENTING FUNGAL INFECTION, ESPECIALLY ASPERGILLUS, CANDIDA, CYRPTOCOCCUS AND OPPORTUNISTIC INFECTIONS SCHERING CORPORATION (US) 2000-03-28 US disclosed
WO-1999015522-A1 TETRAHYDROFURAN PHOSPHATE- AND HYDROXY ESTERS, AS PRODRUGS FOR THE CORRESPONDING ANTIFUNGAL AGENT SCHERING CORPORATION (US) 1999-04-01 WO 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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B ALDH1A1 1423/4885MAPK1 4216/4885L3MBTL1 3877/4885

“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.