SCHEMBL2749036

SCHEMBL2749036

COC(=O)C1OC(C)(C)OC1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ITGA4 P13612 1/20 0.47
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PGD P52209 1/20 0.39
KMT2A Q03164 2/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32

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
SCHEMBL12826506 1.00 ALDH1A1 (0.47) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL10266772 1.00 ALDH1A1 (0.47) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL675867 1.00 ALDH1A1 (0.47) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL9979878 1.00 ALDH1A1 (0.47) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL18219200 0.91 ALDH1A1 (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL2526095 0.91 MAPT (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL17885970 0.91 ALDH1A1 (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL527434 0.91 MAPT (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL17885973 0.91 ALDH1A1 (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL13587126 0.91 MAPT (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11695158-B2 Nonaqueous electrolyte, capacitor device using same, and carboxylic acid ester compound used in same MU IONIC SOLUTIONS CORPORATION (JP) 2023-07-04 US claimed
WO-2023111923-A1 A BIODEGRADABLE POLYMER AND A PROCESS FOR ITS PREPARATION RELIANCE INDUSTRIES LIMITED (IN) 2023-06-22 WO claimed
US-20210320334-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME MU IONIC SOLUTIONS CORPORATION (JP) 2021-10-14 US claimed
US-20190198928-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME UBE INDUSTRIES, LTD. (JP) 2019-06-27 US claimed
EP-1171405-B1 FUNCTIONALISED SOLID SUPPORT FOR ALPHA-OXOALDEHYDE SYNTHESIS PASTEUR INSTITUT (FR) 2007-01-03 EP claimed
WO-2001060986-A9 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN INC (US) 2002-10-17 WO claimed
WO-2001060986-A2 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN, INC. (US) 2001-08-23 WO claimed
JP-57158778-A None JP disclosed
US-11695158-B2 Nonaqueous electrolyte, capacitor device using same, and carboxylic acid ester compound used in same MU IONIC SOLUTIONS CORPORATION (JP) 2023-07-04 US disclosed
US-11695158-B2 Nonaqueous electrolyte, capacitor device using same, and carboxylic acid ester compound used in same MU IONIC SOLUTIONS CORPORATION (JP) 2023-07-04 US disclosed
US-11695158-B2 Nonaqueous electrolyte, capacitor device using same, and carboxylic acid ester compound used in same MU IONIC SOLUTIONS CORPORATION (JP) 2023-07-04 US disclosed
WO-2023111923-A1 A BIODEGRADABLE POLYMER AND A PROCESS FOR ITS PREPARATION RELIANCE INDUSTRIES LIMITED (IN) 2023-06-22 WO disclosed
US-20210320334-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME MU IONIC SOLUTIONS CORPORATION (JP) 2021-10-14 US disclosed
WO-2001060986-A9 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN INC (US) 2002-10-17 WO disclosed
WO-2002006265-A1 CHIRAL COMPOUNDS III MERCK PATENT GMBH (DE) 2002-01-24 WO disclosed
WO-2001060986-A2 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN, INC. (US) 2001-08-23 WO disclosed
US-5674531-A CONTROLLED DRUG DELIVERY, BIODEGRADATION, NONAGGREGATING HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-07 US disclosed
US-4783452-A ANTITUMOR AGENTS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1988-11-08 US disclosed
EP-0222522-A2 Platinum coordination compounds JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1987-05-20 EP disclosed
JP-S57158778-A 2,2,4-TRIMETHYL-5-HYDROXYMETHYL-1,3-DIOXOLANE SUNTORY LTD 1982-09-30 JP 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 (3 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-20190198928-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME SLC9A2, VDAC1, SCO2 ALDH1A1 1748/4885MAPT 4839/4885ITGA4 310/4885
US-11695158-B2 Nonaqueous electrolyte, capacitor device using same, and carboxylic acid ester compound used in same SLC9A2, VDAC1, SCO2 ALDH1A1 1748/4885MAPT 4839/4885ITGA4 310/4885
US-20210320334-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME SLC9A2, VDAC1, SCO2 ALDH1A1 1748/4885MAPT 4839/4885ITGA4 310/4885

“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.