SCHEMBL3312950

SCHEMBL3312950

CCOCCOCCN1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
HTT P42858 3/20 0.54
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HRH1 P35367 1/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL12371261 1.00 KDM4E (0.54) KDM4EHTTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL12371262 1.00 KDM4E (0.54) KDM4EHTTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3303617 0.98 KDM4E (0.53) KDM4EHTTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL1160812 0.95 KDM4E (0.49) KDM4EHTTALDH1A1L3MBTL1HRH3
SCHEMBL12881281 0.93 HRH3 (0.50) KDM4EHTTALDH1A1L3MBTL1HRH3
SCHEMBL3311913 0.93 HRH3 (0.50) KDM4EHTTALDH1A1L3MBTL1HRH3
Bromide SCHEMBL2354968 0.93 KDM4E (0.47) KDM4EHTTALDH1A1L3MBTL1HRH3
Hydrochloric Acid SCHEMBL2939256 0.93 KDM4E (0.47) KDM4EHTTALDH1A1L3MBTL1HRH3
SCHEMBL21348358 0.91 KDM4E (0.47) KDM4EHTTALDH1A1L3MBTL1HRH3
SCHEMBL12371263 0.91 HRH3 (0.49) KDM4EHTTALDH1A1L3MBTL1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 US disclosed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 US disclosed
EP-2958181-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2017-06-14 EP disclosed
US-9653754-B2 Nonaqueous electrolytes and nonaqueous-electrolyte secondary batteries employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2017-05-16 US disclosed
US-9620814-B2 2017-04-11 US disclosed
US-9515348-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-12-06 US disclosed
US-9231277-B2 Nonaqueous electrolytes and nonaqueous-electrolyte secondary batteries employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-01-05 US disclosed
EP-2958181-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2015-12-23 EP disclosed
US-8673489-B2 Nonaqueous electrolytic solution and nonaqeuous-electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-03-18 US disclosed
EP-2166611-B1 NONAQUEOUS ELECTROLYTE, AND RECHARGEABLE BATTERY WITH THE NONAQUEOUS ELECTROLYTE MITSUBISHI CHEM CORP (JP) 2013-12-25 EP disclosed
US-20130280622-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2013-10-24 US disclosed
EP-2535976-A1 NONAQUEOUS ELECTROLYTE SOLUTION, AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2012-12-19 EP disclosed
US-20120308881-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQEUOUS-ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 US disclosed
US-20120264010-A1 NONAQUEOUS ELECTROLYTES AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERIES EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-18 US disclosed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed
US-20100099031-A1 NONAQUEOUS ELECTROLYTES AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERIES EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-04-22 US disclosed
EP-2166611-A1 NONAQUEOUS ELECTROLYTE, AND RECHARGEABLE BATTERY WITH THE NONAQUEOUS ELECTROLYTE Mitsubishi Chemical Corporation (JP) 2010-03-24 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 (4 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-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R KDM4E 3312/4885HTT 4753/4885ALDH1A1 3264/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R KDM4E 3312/4885HTT 4753/4885ALDH1A1 3264/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R KDM4E 3312/4885HTT 4753/4885ALDH1A1 3264/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 KDM4E 689/4885HTT 3760/4885ALDH1A1 2264/4885

“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.