SCHEMBL779950

SCHEMBL779950

[CH]1CCC(c2ccccc2)CC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM1A O60341 1/20 0.35
CYP2B6 P20813 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL4297438 0.78 SLC18A3 (0.40) AKR1C3AKR1C1SLC18A3SIGMAR1GAA
SCHEMBL10655416 0.78 KCNA5 (0.35) MAOAMAOBCYP2C19KDM1ACYP2B6
SCHEMBL1929909 0.77 SLC18A3 (0.41) SLC18A3SIGMAR1GAAMAOAMAOB
SCHEMBL1858837 0.75 AKR1C3 (0.58) AKR1C3AKR1C1SLC18A3SIGMAR1GAA
SCHEMBL10895189 0.74 AKR1C3 (0.61) AKR1C3AKR1C1SLC18A3SIGMAR1GAA
SCHEMBL779656 0.71 ALDH1A1 (0.38) SLC18A3SIGMAR1GAAMAOAMAOB
SCHEMBL60704 0.70 SLC18A3 (0.56) AKR1C3AKR1C1SLC18A3SIGMAR1GAA
SCHEMBL780234 0.70 AKR1C3 (0.52) AKR1C3AKR1C1SLC18A3SIGMAR1
SCHEMBL2157992 0.70 ALDH1A1 (0.41) SLC18A3SIGMAR1GAACYP1A2CYP2D6
SCHEMBL777693 0.70 ALDH1A1 (0.41) SLC18A3SIGMAR1GAACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 EP disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US disclosed
US-10333172-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-25 US disclosed
US-10290901-B2 2019-05-14 US disclosed
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-20170084955-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-23 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
EP-2177586-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2010-04-21 EP disclosed
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
US-20090286155-A1 LITHIUM DIFLUOROPHOSPHATE, ELECTROLYTE CONTAINING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE, AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY CONTAINING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2009-11-19 US disclosed
CN-101507041-A Lithium difluorophosphate, electrolyte containing lithium difluorophosphate, method for producing nonaqueous electrolyte, and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP (JP) 2009-08-12 CN disclosed
EP-2061115-A1 LITHIUM DIFLUOROPHOSPHATE, ELECTROLYTIC SOLUTION CONTAINING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING NONAQUEOUS ELECTROLYTIC SOLUTION, NONAQUEOUS ELECTROLYTIC SOLUTION, AND NONAQUEOUS-ELECTROLYTIC-SOLUTION SECONDARY CELL EMPLOYING THE SAME Mitsubishi Chemical Corporation (JP) 2009-05-20 EP disclosed
CN-101432923-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-05-13 CN disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
EP-1640430-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-03-29 EP disclosed
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-01-19 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 (2 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-20060014046-A1 Luminescent material and organic electroluminescent device using the same C1S, EPB41, EPB41L2 AKR1C3 535/4885AKR1C1 816/4885SLC18A3 3239/4885
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 AKR1C3 2361/4885AKR1C1 2967/4885SLC18A3 2989/4885

“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.