SCHEMBL776404

SCHEMBL776404

CC(=O)OC(=O)C#Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
VCP P55072 1/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
NLRP3 Q96P20 1/20 0.44
HSP90AA1 P07900 2/20 0.42
AGTR1 P30556 1/20 0.42
PAX8 Q06710 1/20 0.42
TLR9 Q9NR96 1/20 0.42
ALDH1A1 P00352 4/20 0.41
APP P05067 1/20 0.41
FFAR1 O14842 3/20 0.41
MAPT P10636 2/20 0.39
OPRK1 P41145 1/20 0.39
MTOR P42345 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 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
SCHEMBL777600 0.88 NPSR1 (0.53) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL25406038 0.84 NPSR1 (0.39) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL6747784 0.82 NPSR1 (0.46) NPSR1VCPNPC1RAB9AMEN1
Acetic Acid SCHEMBL26931321 0.82 NPSR1 (0.46) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL7026746 0.81 NPSR1 (0.49) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL124863 0.80 NPSR1 (0.55) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL21847995 0.79 NPSR1 (0.46) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL25329693 0.77 MEN1 (0.42) NPSR1VCPNPC1RAB9AMEN1
SCHEMBL25329696 0.77 MEN1 (0.42) NPSR1VCPNPC1RAB9AMEN1
4-Phenyl-3-Butyn-2-One SCHEMBL433104 0.77 NPSR1 (0.61) NPSR1VCPNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4391139-A1 ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, SECONDARY BATTERY, AND LITHIUM ION SECONDARY BATTERY DAIKIN INDUSTRIES, LTD. (JP) 2024-06-26 EP disclosed
US-12015121-B2 Electrolyte, electrochemical device, lithium ion secondary battery, and module DAIKIN INDUSTRIES, LTD. (JP) 2024-06-18 US disclosed
US-12002926-B2 Electrolyte, electrochemical device, lithium ion secondary battery, and module DAIKIN INDUSTRIES, LTD. (JP) 2024-06-04 US disclosed
US-11996522-B2 Electrolyte, electrochemical device, lithium-ion secondary battery, and module DAIKIN INDUSTRIES, LTD. (JP) 2024-05-28 US disclosed
WO-2024095797-A1 ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, SECONDARY BATTERY, AND LITHIUM ION SECONDARY BATTERY ダイキン工業株式会社 2024-05-10 WO disclosed
US-20240154170-A1 NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY, AND ENERGY DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2024-05-09 US disclosed
US-20240145780-A1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY BATTERY, AND MODULE DAIKIN INDUSTRIES, LTD. (JP) 2024-05-02 US disclosed
US-11945776-B2 Electrolyte, electrochemical device, lithium ion secondary battery, and module DAIKIN INDUSTRIES, LTD. (JP) 2024-04-02 US disclosed
US-11916195-B2 Electrolyte solution, electrochemical device, lithium ion secondary battery, and module DAIKIN INDUSTRIES, LTD. (JP) 2024-02-27 US disclosed
WO-2024010056-A1 SECONDARY BATTERY ダイキン工業株式会社 2024-01-11 WO 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
US-20150056503-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-26 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 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
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 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-11945776-B2 Electrolyte, electrochemical device, lithium ion secondary battery, and module CLCN2, SLC26A3, KCNH3 NPSR1 4358/4885VCP 4174/4885NPC1 1116/4885

“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.