SCHEMBL712680

SCHEMBL712680

CCC/C(OC(=O)O)=C(/CCC)OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
FFAR3 O14843 4/20 0.48
HDAC3 O15379 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TSHR P16473 5/20 0.39
AKR1B1 P15121 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
GPR84 Q9NQS5 5/20 0.35
HDAC11 Q96DB2 5/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
PTPN1 P18031 2/20 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
SCHEMBL704833 0.79 FFAR3 (0.47) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL3799819 0.78
Pentane SCHEMBL10887899 0.77 AKR1B1 (0.46) ALDH1A1FFAR3CES2CES1TSHR
Ammonia Solution, Strong SCHEMBL27991598 0.76 ALDH1A1 (0.70) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL29899336 0.76 ALDH1A1 (0.70) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Butane SCHEMBL8822263 0.76 FFAR3 (0.50) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Butane SCHEMBL5064963 0.76 FFAR3 (0.50) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Butane SCHEMBL10901195 0.76 FFAR3 (0.50) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Butane SCHEMBL9442813 0.76 FFAR3 (0.50) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL16193636 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260128376-A1 NONAQUEOUS ELECTROLYTE ENERGY STORAGE DEVICE GS YUASA INT LTD (JP) 2026-05-07 US disclosed
EP-4726840-A1 NONAQUEOUS ELECTROLYTE POWER STORAGE ELEMENT AND METHOD FOR MANUFACTURING SAME GS Yuasa International Ltd. (JP) 2026-04-15 EP disclosed
EP-4583230-A1 NONAQUEOUS ELECTROLYTE POWER STORAGE ELEMENT GS Yuasa International Ltd. (JP) 2025-07-09 EP disclosed
WO-2025120994-A1 SECONDARY BATTERY NON-AQUEOUS ELECTROLYTE AND SECONDARY BATTERY PROVIDED WITH SAME ステラケミファ株式会社 2025-06-12 WO disclosed
WO-2025121377-A1 POSITIVE ELECTRODE ACTIVE MATERIAL COATING MATERIAL AND SECONDARY BATTERY PROVIDED WITH SAME ステラケミファ株式会社 2025-06-12 WO disclosed
EP-3771014-B1 NONAQUEOUS ELECTROLYTE SOLUTION FOR POWER STORAGE DEVICES TOMIYAMA PURE CHEMICAL INDUSTRIES LTD (JP) 2025-03-05 EP disclosed
US-12155037-B2 Nonaqueous electrolyte solution for power storage devices TOMIYAMA PURE CHEMICAL INDUSTRIES, LTD. (JP) 2024-11-26 US disclosed
WO-2024225238-A1 ELECTROLYTE FOR POWER STORAGE DEVICE, REINFORCING AGENT, ELECTROLYTE SOLUTION, AND POWER STORAGE DEVICE USING SAME 富山薬品工業株式会社 2024-10-31 WO disclosed
WO-2024225237-A1 ELECTROLYTE FOR POWER STORAGE DEVICE, REINFORCING AGENT, ELECTROLYTE SOLUTION, AND POWER STORAGE DEVICE USING SAME 富山薬品工業株式会社 2024-10-31 WO disclosed
US-12107226-B2 Electrolyte for power storage devices and nonaqueous electrolyte solution TOMIYAMA PURE CHEMICAL INDUSTRIES, LTD. (JP) 2024-10-01 US disclosed
US-20130071732-A1 NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING SILYL ESTER GROUP-CONTAINING PHOSPHONIC ACID DERIVATIVE, AND LITHIUM SECONDARY BATTERY MITSUI CHEMICALS, INC. (JP) 2013-03-21 US disclosed
EP-2565973-A1 NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING CYCLIC SULFONE COMPOUND, AND LITHIUM SECONDARY BATTERY Mitsui Chemicals, Inc. (JP) 2013-03-06 EP disclosed
US-20130040209-A1 NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING CYCLIC SULFONE COMPOUND, AND LITHIUM SECONDARY BATTERY MITSUI CHEMICALS, INC. (JP) 2013-02-14 US disclosed
US-8124272-B2 polyvinyl acetal resin varnish which is so low in stimulus property, toxicity, environment-polluting property, offensive odor, and inflammability that no problem is caused in practical use, and which is high in safety, low in viscosity, and thus favorable in workability MITSUI CHEMICALS, INC. (JP) 2012-02-28 US disclosed
EP-1952476-B1 USE OF AN INHIBITOR OF REDUCTION OF LIFE CYCLE OF A REDOX SHUTTLE ADDITIVE FOR A NON-AQUEOUS ELECTROLYTE AND A SECONDARY BATTERY LG CHEMICAL LTD (KR) 2010-09-15 EP disclosed
EP-1952476-A1 INHIBITOR OF REDUCTION OF LIFE CYCLE OF REDOX SHUTTLE ADDITIVE AND NON-AQUEOUS ELECTROLYTE AND SECONDARY BATTERY COMPRISING THE SAME LG Chem, Ltd. (KR) 2008-08-06 EP disclosed
US-20080090145-A1 Polyvinyl Acetal Resin Varnish Gelling Agent, Nonaqueous Electrolyte Solution, And Electrochemical Device MITSUI CHEMICALS, INC. (JP) 2008-04-17 US disclosed
WO-2007049888-A1 INHIBITOR OF REDUCTION OF LIFE CYCLE OF REDOX SHUTTLE ADDITIVE AND NON-AQUEOUS ELECTROLYTE AND SECONDARY BATTERY COMPRISING THE SAME LG CHEM, LTD. (KR) 2007-05-03 WO disclosed
US-20070092802-A1 INHIBITOR OF REDUCTION OF LIFE CYCLE OF REDOX SHUTTLE ADDITIVE AND NON-AQUEOUS ELECTROLYTE AND SECONDARY BATTERY COMPRISING THE SAME LG CHEM, LTD. (KR) 2007-04-26 US disclosed
CN-1474476-A Additive for electrolytic solution, non-aqueous elecrolytic solution using said additive and secondary cell 三井化学株式会社 2004-02-11 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 (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-20130071732-A1 NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING SILYL ESTER GROUP-CONTAINING PHOSPHONIC ACID DERIVATIVE, AND LITHIUM SECONDARY BATTERY PHOSPHO1, PSPH, SGK2 ALDH1A1 3702/4885FFAR3 3940/4885HDAC3 2552/4885
US-20260128376-A1 NONAQUEOUS ELECTROLYTE ENERGY STORAGE DEVICE CACNA2D1, CACNA2D3, CACNA2D4 ALDH1A1 4753/4885FFAR3 1214/4885HDAC3 1853/4885
US-20130040209-A1 NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING CYCLIC SULFONE COMPOUND, AND LITHIUM SECONDARY BATTERY TST, SULT1E1, STS ALDH1A1 932/4885FFAR3 2326/4885HDAC3 1341/4885
US-12155037-B2 Nonaqueous electrolyte solution for power storage devices AQP1, NCS1, SLC9A1 ALDH1A1 1681/4885FFAR3 4251/4885HDAC3 3581/4885
US-20070092802-A1 INHIBITOR OF REDUCTION OF LIFE CYCLE OF REDOX SHUTTLE ADDITIVE AND NON-AQUEOUS ELECTROLYTE AND SECONDARY BATTERY COMPRISING THE SAME SQOR, TST, SULT1E1 ALDH1A1 599/4885FFAR3 4481/4885HDAC3 2235/4885

“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.