SCHEMBL1786941

SCHEMBL1786941

CC(C)(C)c1cccc(OP(=O)(Oc2cccc(C(C)(C)C)c2)Oc2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.45
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACHE P22303 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM2 Q14416 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
KIF11 P52732 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
SCHEMBL1787920 0.95 L3MBTL1 (0.45) SOD1CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL3396886 0.95 L3MBTL1 (0.45) SOD1CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL1787386 0.91 SOD1 (0.42) SOD1CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL3400425 0.91 SOD1 (0.42) SOD1CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL1790484 0.87 POLB (0.45) SOD1CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL3398362 0.87 SOD1 (0.43) SOD1CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL12341192 0.85 SRC (0.53) SOD1CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL31010503 0.85 ACHE (0.45) SOD1CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL29402633 0.82 NPC1 (0.43) SOD1CYP3A4CYP2C9L3MBTL1LMNA
SCHEMBL1790741 0.82 NPC1 (0.43) SOD1CYP3A4CYP2C9L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10777850-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2020-09-15 US disclosed
CN-107078352-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-04-28 CN disclosed
US-10424812-B2 Non-aqueous electrolytic solution and non-aqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-09-24 US disclosed
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
EP-2830143-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-05-22 EP disclosed
US-20190051941-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-02-14 US disclosed
US-10177414-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-01-08 US disclosed
EP-3051618-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEM CORP (JP) 2018-11-14 EP disclosed
EP-3203569-B1 NONAQUEOUS ELECTROLYTE, AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING SAME MITSUBISHI CHEM CORP (JP) 2018-10-31 EP disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120308883-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 US disclosed
US-20120219854-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
EP-2446005-A1 ANTI-WEAR AGENTS WITH A REDUCED NEUROTOXICITY Nyco SA (FR) 2012-05-02 EP disclosed
US-20120101015-A1 ANTI-WEAR AGENTS WITH A REDUCED NEUROTOXICITY NYCO SA (FR) 2012-04-26 US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 US disclosed
WO-2010149690-A1 ANTI-WEAR AGENTS WITH A REDUCED NEUROTOXICITY NYCO SA (FR) 2010-12-29 WO disclosed
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 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-20120101015-A1 ANTI-WEAR AGENTS WITH A REDUCED NEUROTOXICITY SSB, PRNP, TARDBP SOD1 1069/4885CYP3A4 3279/4885CYP2C9 2527/4885

“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.