SCHEMBL2531258

SCHEMBL2531258

CCCCCOC(=O)C#CC(=O)OCCCCC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HCAR2 Q8TDS4 2/20 0.48
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATM Q13315 1/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 2/20 0.45

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
SCHEMBL2940576 0.98 NAAA (0.59) NAAACA12CA1CA2CA9
SCHEMBL2531428 0.98 NAAA (0.59) NAAACA12CA1CA2CA9
SCHEMBL2530636 0.98 NAAA (0.59) NAAACA12CA1CA2CA9
SCHEMBL2530487 0.98 NAAA (0.59) NAAACA12CA1CA2CA9
SCHEMBL10812161 0.98 NAAA (0.59) NAAACA12CA1CA2CA9
SCHEMBL2945479 0.98 NAAA (0.59) NAAACA12CA1CA2CA9
SCHEMBL2529555 0.98 NAAA (0.59) NAAACA12CA1CA2CA9
SCHEMBL2529455 0.98 NAAA (0.59) NAAACA12CA1CA2CA9
SCHEMBL2946409 0.98 NAAA (0.59) NAAACA12CA1CA2CA9
SCHEMBL2948390 0.98 ALDH1A1 (0.54) NAAACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3352281-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY ADEKA CORP (JP) 2021-08-11 EP disclosed
US-10734684-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery ADEKA CORPORATION (JP) 2020-08-04 US disclosed
US-10618718-B2 Oxygen scavengers APG Polytech, LLC (US) 2020-04-14 US disclosed
US-20190233195-A1 OXYGEN SCAVENGERS APG Polytech, LLC (US) 2019-08-01 US disclosed
EP-2748084-B1 ARTICLES CONTAINING OXYGEN-SCAVENGING MATERIALS APG POLYTECH LLC (US) 2019-06-12 EP disclosed
US-10207853-B2 Oxygen scavengers APG Polytech, LLC (US) 2019-02-19 US disclosed
US-10186732-B2 Nonaqueous electrolyte solution for batteries, and nonaqueous electrolyte secondary battery using same DENSO CORPORATION (JP) 2019-01-22 US disclosed
US-20180226683-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROPLYTE SECONDARY BATTERY ADKEA CORPORATION (JP) 2018-08-09 US disclosed
EP-3352281-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Adeka Corporation (JP) 2018-07-25 EP disclosed
EP-2683011-B1 NONAQUEOUS ELECTROLYTE SOLUTION FOR BATTERIES, AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING SAME DENSO CORP (JP) 2018-02-28 EP disclosed
WO-2012158250-A1 PLASTICIZERS Amyris, Inc. (US) 2012-11-22 WO disclosed
WO-2012103156-A1 SURFACTANTS Amyris, Inc. (US) 2012-08-02 WO disclosed
US-20110257361-A1 ALKYL BENZENE TETRACARBOXYLIC DIANHYDRIDE, MANUFACTURING METHOD THEREOF, POLYIMIDE, AND APPLICATION THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-20 US disclosed
US-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP disclosed
CN-100502135-C Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2009-06-17 CN disclosed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
CN-1961452-A Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2007-05-09 CN disclosed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP disclosed
EP-0201203-A2 Method of treatment of plants with aniline derivatives MAY & BAKER LIMITED (GB) 1986-11-12 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-10207853-B2 Oxygen scavengers LPO, GPX4, GPX1 NAAA 2731/4885CA12 4497/4885CA1 3921/4885
US-20180226683-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROPLYTE SECONDARY BATTERY SLC9A1, SLC8A1, KCNN1 NAAA 2709/4885CA12 516/4885CA1 286/4885
US-10734684-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery KCNN1, KCNN2, SLC9A1 NAAA 2528/4885CA12 252/4885CA1 115/4885
US-20190233195-A1 OXYGEN SCAVENGERS LPO, GPX4, GPX1 NAAA 2731/4885CA12 4497/4885CA1 3921/4885
US-10618718-B2 Oxygen scavengers LPO, GPX4, GPX1 NAAA 2731/4885CA12 4497/4885CA1 3921/4885
US-20110257361-A1 ALKYL BENZENE TETRACARBOXYLIC DIANHYDRIDE, MANUFACTURING METHOD THEREOF, POLYIMIDE, AND APPLICATION THEREOF PBRM1, PUF60, ALKBH1 NAAA 1315/4885CA12 1457/4885CA1 682/4885

“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.