SCHEMBL3306544

SCHEMBL3306544

CCCCOCCN1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
HRH3 Q9Y5N1 8/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
CHRM2 P08172 3/20 0.44
KCNH2 Q12809 3/20 0.44
ADRA2C P18825 2/20 0.44
SLC6A2 P23975 2/20 0.44
HRH1 P35367 2/20 0.44
SLC6A3 Q01959 2/20 0.44
SLC6A4 P31645 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
HTR2A P28223 2/20 0.43
CHRM1 P11229 1/20 0.43
MAPK1 P28482 1/20 0.43
SCN1A P35498 1/20 0.43

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
SCHEMBL3303079 0.98 LTA4H (0.54) LTA4HHRH3CHRM2KCNH2ADRA2C
SCHEMBL3308012 0.98 LTA4H (0.54) LTA4HHRH3KDM4EHTTCHRM2
SCHEMBL501405 0.98 LTA4H (0.54) LTA4HHRH3KDM4EHTTCHRM2
SCHEMBL3303986 0.96 LTA4H (0.53) LTA4HHRH3KDM4EHTTCHRM2
SCHEMBL955788 0.96 LTA4H (0.53) LTA4HHRH3KDM4EHTTCHRM2
SCHEMBL18909892 0.96 LTA4H (0.51) LTA4HHRH3KDM4EHTTCHRM2
SCHEMBL24757676 0.96 LTA4H (0.51) LTA4HHRH3CHRM2KCNH2ADRA2C
SCHEMBL15510652 0.94 HRH3 (0.53) LTA4HHRH3CHRM2KCNH2ADRA2C
SCHEMBL3307768 0.94 LTA4H (0.59) LTA4HHRH3KDM4EHTTCHRM2
SCHEMBL3305481 0.92 LTA4H (0.57) LTA4HHRH3KDM4EHTTCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO 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
EP-2535976-B1 NON-AQUEOUS ELECTROLYTE SOLUTION, AND SECONDARY BATTERY COMPRISING THE SAME MITSUBISHI CHEM CORP (JP) 2015-09-02 EP disclosed
US-9048508-B2 Nonaqueous electrolytes and nonaqueous-electrolyte secondary batteries employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2015-06-02 US disclosed
US-20140335405-A1 NONAQUEOUS ELECTROLYTES AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERIES EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-13 US 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-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 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
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 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-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 LTA4H 3185/4885HRH3 2661/4885KDM4E 980/4885

“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.