SCHEMBL4087701

SCHEMBL4087701

C=C(COCC)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 2/20 0.47
THRB P10828 1/20 0.45
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLO1 Q04760 1/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
TRPA1 O75762 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1520965 0.93 ALDH1A1 (0.48) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL5078386 0.90 ALDH1A1 (0.42) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL16654664 0.90 THRB (0.55) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL23894805 0.89 THRB (0.48) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL12297123 0.87 THRB (0.47) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL15382568 0.85 ALDH1A1 (0.42) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL9350161 0.85 ALDH1A1 (0.42) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL1831709 0.84 ALDH1A1 (0.43) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL26597173 0.84 ALDH1A1 (0.41) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL19322774 0.82 ALDH1A1 (0.40) ALDH1A1TSHRTHRBMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117855588-A Solid electrolyte membrane and dry preparation method and application thereof 远景睿泰动力技术(上海)有限公司 2024-04-09 CN claimed
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
CN-117855588-A Solid electrolyte membrane and dry preparation method and application thereof 远景睿泰动力技术(上海)有限公司 2024-04-09 CN disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
CN-117561385-A Transmission belt 戴科欧洲有限公司 2024-02-13 CN disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
US-20180155353-A1 Antimicrobial Compounds and Methods BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2018-06-07 US disclosed
US-9920062-B2 Antimicrobial monomers and polymers, and their use in dental devices BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2018-03-20 US disclosed
US-20160068536-A1 Antimicrobial Monomers and Polymers, and Their Use in Dental Devices BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2016-03-10 US disclosed
WO-2013155223-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 WO disclosed
EP-2578565-A1 ALPHA-SUBSTITUTED ACRYLATE ESTERS, COMPOSITION CONTAINING SAME, AND METHOD FOR PRODUCING THE -SUBSTITUTED ACRYLATE ESTERS Nippon Shokubai Co., Ltd. (JP) 2013-04-10 EP disclosed
US-20130072712-A1 ALPHA-SUBSTITUTED ACRYLATE ESTERS, COMPOSITION CONTAINING THEREOF, AND METHOD FOR PRODUCING THOSE NIPPON SHOKUBAI CO, LTD (JP) 2013-03-21 US disclosed
US-20120115108-A1 POLYMERIZABLE PHOSPHORIC ACID DERIVATIVES COMPRISING A POLYALICYLIC STRUCTURE ELEMENT VOCO GMBH (DE) 2012-05-10 US disclosed
US-20120115108-A1 POLYMERIZABLE PHOSPHORIC ACID DERIVATIVES COMPRISING A POLYALICYLIC STRUCTURE ELEMENT VOCO GMBH (DE) 2012-05-10 US disclosed
EP-2450025-A1 Polymerisable phosphoric acid derivatives comprising a polyalicyclic structure element VOCO GmbH (DE) 2012-05-09 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 (6 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-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 ALDH1A1 3621/4885TSHR 1670/4885THRB 1926/4885
US-20180155353-A1 Antimicrobial Compounds and Methods GSDMD, AAAS, ACMSD ALDH1A1 3082/4885TSHR 4859/4885THRB 4813/4885
US-20160068536-A1 Antimicrobial Monomers and Polymers, and Their Use in Dental Devices CAD, GSDMD, PAM ALDH1A1 2745/4885TSHR 4855/4885THRB 4782/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 ALDH1A1 2005/4885TSHR 4034/4885THRB 2622/4885
US-20130072712-A1 ALPHA-SUBSTITUTED ACRYLATE ESTERS, COMPOSITION CONTAINING THEREOF, AND METHOD FOR PRODUCING THOSE ACR, ASPH, ADH1A ALDH1A1 9/4885TSHR 2165/4885THRB 402/4885
US-20120115108-A1 POLYMERIZABLE PHOSPHORIC ACID DERIVATIVES COMPRISING A POLYALICYLIC STRUCTURE ELEMENT CAD, PCBP1, PPIP5K2 ALDH1A1 2866/4885TSHR 4604/4885THRB 3418/4885

“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.