SCHEMBL3301329

SCHEMBL3301329

CCN(CC)C/C=C/c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
KCNH2 Q12809 3/20 0.51
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
HTR2A P28223 4/20 0.46
NR1I2 O75469 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2C P18825 1/20 0.45
CNR1 P21554 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 1/20 0.45
SLC6A3 Q01959 1/20 0.45
EBP Q15125 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 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
SCHEMBL3037072 1.00 MEN1 (0.61) MEN1KMT2AKCNH2KDM4EL3MBTL1
Sulfuric Acid SCHEMBL9223828 0.89 MEN1 (0.51) MEN1KMT2AKCNH2KDM4EL3MBTL1
SCHEMBL11629435 0.89 KCNH2 (0.50) MEN1KMT2AKCNH2KDM4ECYP1A2
SCHEMBL11629438 0.89 KCNH2 (0.50) MEN1KMT2AKCNH2KDM4ECYP1A2
SCHEMBL9779068 0.87 MEN1 (0.53) MEN1KMT2AKCNH2KDM4EHTR2A
SCHEMBL2774559 0.87 MEN1 (0.63) MEN1KMT2AKCNH2KDM4EL3MBTL1
SCHEMBL2774560 0.87 MEN1 (0.63) MEN1KMT2AKCNH2KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL8070534 0.86 MEN1 (0.51) MEN1KMT2AKCNH2KDM4EL3MBTL1
SCHEMBL11387658 0.84 KCNH2 (0.47) MEN1KMT2AKCNH2KDM4EL3MBTL1
SCHEMBL11496361 0.84 EPOR (0.52) MEN1KMT2AKCNH2L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155735-B2 Synthesis of novel ionic liquids from lignin-derived compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-12-18 US disclosed
US-20170349561-A1 SYNTHESIS OF NOVEL IONIC LIQUIDS FROM LIGNIN-DERIVED COMPOUNDS UNITED STATES DEPARTMENT OF ENERGY 2017-12-07 US disclosed
US-20170349561-A1 SYNTHESIS OF NOVEL IONIC LIQUIDS FROM LIGNIN-DERIVED COMPOUNDS UNITED STATES DEPARTMENT OF ENERGY 2017-12-07 US disclosed
US-20170349561-A1 SYNTHESIS OF NOVEL IONIC LIQUIDS FROM LIGNIN-DERIVED COMPOUNDS UNITED STATES DEPARTMENT OF ENERGY 2017-12-07 US disclosed
US-9765044-B2 Synthesis of novel ionic liquids from lignin-derived compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-09-19 US disclosed
US-9765044-B2 Synthesis of novel ionic liquids from lignin-derived compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-09-19 US disclosed
US-9765044-B2 Synthesis of novel ionic liquids from lignin-derived compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-09-19 US disclosed
US-20160031843-A1 SYNTHESIS OF NOVEL IONIC LIQUIDS FROM LIGNIN-DERIVED COMPOUNDS UNITED STATES DEPARTMENT OF ENERGY 2016-02-04 US disclosed
US-20160031843-A1 SYNTHESIS OF NOVEL IONIC LIQUIDS FROM LIGNIN-DERIVED COMPOUNDS UNITED STATES DEPARTMENT OF ENERGY 2016-02-04 US disclosed
US-20160031843-A1 SYNTHESIS OF NOVEL IONIC LIQUIDS FROM LIGNIN-DERIVED COMPOUNDS UNITED STATES DEPARTMENT OF ENERGY 2016-02-04 US disclosed
US-7674823-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-03-09 US disclosed
EP-2102286-A1 BLOCKED ISOCYANATE SILICONE RESINS Dow Corning Corporation (US) 2009-09-23 EP disclosed
WO-2008088492-A1 BLOCKED ISOCYANATE SILICONE RESINS DOW CORNING CORPORATRION (US) 2008-07-24 WO disclosed
US-20070238729-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-10-11 US disclosed
US-20070238729-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-10-11 US disclosed
US-20070167587-A1 Process for producing polymer with functional end KURARAY CO., LTD. (JP) 2007-07-19 US disclosed
US-7226918-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-05 US disclosed
EP-1420008-B1 Composition, in particular cosmetic, comprising a secondary or tertiary amine OREAL (FR) 2006-12-20 EP disclosed
EP-1721912-A1 PROCESS FOR PRODUCING POLYMER WITH FUNCTIONAL END KURARAY CO., LTD. (JP) 2006-11-15 EP disclosed
EP-1420008-A1 Composition, in particular cosmetic, comprising a secondary or tertiary amine L'OREAL (FR) 2004-05-19 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-20160031843-A1 SYNTHESIS OF NOVEL IONIC LIQUIDS FROM LIGNIN-DERIVED COMPOUNDS DCXR, LCT, LARS1 MEN1 4560/4885KMT2A 593/4885KCNH2 1732/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 MEN1 3398/4885KMT2A 1306/4885KCNH2 1887/4885
US-10155735-B2 Synthesis of novel ionic liquids from lignin-derived compounds LSS, DCXR, MYB MEN1 4291/4885KMT2A 1412/4885KCNH2 2639/4885
US-20170349561-A1 SYNTHESIS OF NOVEL IONIC LIQUIDS FROM LIGNIN-DERIVED COMPOUNDS LSS, DCXR, MYB MEN1 4291/4885KMT2A 1412/4885KCNH2 2639/4885

“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.