SCHEMBL525985

SCHEMBL525985

CC(C)OP(=O)(CCP(=O)(OC(C)C)OC(C)C)OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HMGCR P04035 9/20 0.38
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11514172 0.88 CTSA (0.43) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL11515008 0.88 CTSA (0.43) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL11516051 0.86 CTSA (0.42) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL11514169 0.86 CTSA (0.42) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL7739962 0.86 CTSA (0.42) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL4736507 0.86 CTSA (0.42) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL6618745 0.84 CTSA (0.40) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL525808 0.84 CTSA (0.40) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL525398 0.84 CTSA (0.40) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL2322178 0.83 HMGCR (0.39) CTSAACHEALDH1A1HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256308-B2 Carbonylating methanol with an iridium carbonylation catalyst, methyl iodide, methyl acetate, water, acetic acid, a promoter of ruthenium, rhenium or osmium, and a bis-phosphonate compound BP CHEMICALS LIMITED (GB) 2007-08-14 US claimed
US-20050131251-A1 Process for the production of acetic acid BP CHEMICALS LIMITED (GB) 2005-06-16 US claimed
US-4141967-A ANHYDROUS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-02-27 US claimed
EP-3261155-B1 CONDUCTIVE PASTE AND MIXTURE PASTE FOR LITHIUM ION BATTERY POSITIVE ELECTRODE KANSAI PAINT CO LTD (JP) 2023-11-01 EP disclosed
US-10468683-B2 Conductive paste and mixture paste for lithium ion battery positive electrode KANSAI PAINT CO., LTD. (JP) 2019-11-05 US disclosed
US-10103401-B2 Polymer electrolyte composition and polymer electrolyte membrane, polymer electrolyte membrane with catalyst layer, membrane electrode assembly, and polymer electrolyte fuel cell each using the same TORAY INDUSTRIES, INC. (JP) 2018-10-16 US disclosed
EP-3131145-B1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME TORAY INDUSTRIES (JP) 2018-09-05 EP disclosed
EP-2598509-B1 METHOD OF THE SYNTHESIS OF DIETHYL OR DIISOPROPYL HALOALKYLPHOSPHONATES AND DIETHYL OR DIISOPROPYL HALOALKYLOXYALKYLPHOSPHONATES ÚSTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY V V I (CZ) 2018-02-07 EP disclosed
US-20170373319-A1 CONDUCTIVE PASTE AND MIXTURE PASTE FOR LITHIUM ION BATTERY POSITIVE ELECTRODE KANSAI PAINT CO., LTD. (JP) 2017-12-28 US disclosed
EP-3261155-A1 CONDUCTIVE PASTE AND MIXTURE PASTE FOR LITHIUM ION BATTERY POSITIVE ELECTRODE Kansai Paint Co., Ltd (JP) 2017-12-27 EP disclosed
US-20170125832-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME TORAY INDUSTRIES, INC. (JP) 2017-05-04 US disclosed
EP-3131145-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME Toray Industries, Inc. (JP) 2017-02-15 EP disclosed
EP-2598509-A1 METHOD OF THE SYNTHESIS OF DIALKYL HALOALKYLPHOSPHONATES AND DIALKYL HALOALKYLOXYALKYLPHOSPHONATES Ustav Organicke Chemie a Biochemie Akademie Ved Ceske Republiky, V.V.I. (CZ) 2013-06-05 EP disclosed
WO-2012013168-A1 METHOD OF THE SYNTHESIS OF DIALKYL HALOALKYLPHOSPHONATES AND DIALKYL HALOALKYLOXYALKYLPHOSPHONATES ÚSTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VĚD ČESKÉ REPUBLIKY, v.v.i. (CZ) 2012-02-02 WO disclosed
US-7256308-B2 Carbonylating methanol with an iridium carbonylation catalyst, methyl iodide, methyl acetate, water, acetic acid, a promoter of ruthenium, rhenium or osmium, and a bis-phosphonate compound BP CHEMICALS LIMITED (GB) 2007-08-14 US disclosed
US-20050131251-A1 Process for the production of acetic acid BP CHEMICALS LIMITED (GB) 2005-06-16 US disclosed
US-6310093-B1 ADMINISTERING, IN AMOUNT EFFECTIVE TO REDUCE DAMAGE TO NEURONAL CELLS, COMPOUND WHICH SELECTIVELY INHIBITS EXTRACELLULAR GLUTAMINASE RELATIVE TO GLUTAMINASE PRESENT IN INTACT CELLS AND IS IMPERMEABLE TO INTACT CELL MEMBRANES ELAN PHARMACEUTICALS, INC. 2001-10-30 US disclosed
WO-1999009825-A1 METHOD OF PREVENTING NEURONAL DEATH ELAN PHARMACEUTICALS, INC. (US) 1999-03-04 WO disclosed
US-4141967-A ANHYDROUS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-02-27 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 (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-20050131251-A1 Process for the production of acetic acid ME1, INO80C, INO80 CTSA 4223/4885ACHE 623/4885ALDH1A1 219/4885

“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.