SCHEMBL614039

SCHEMBL614039

CCN(CC)CCCCCCCCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.50
PLA2G1B P04054 1/20 0.48
PLA2G2A P14555 1/20 0.48
LMNA P02545 1/20 0.42
CACNA2D1 P54289 2/20 0.38
KDM4C Q9H3R0 2/20 0.36
KDM4A O75164 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 1/20 0.33
PAOX Q6QHF9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC22A1 O15245 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
SCHEMBL28223088 1.00 SIGMAR1 (0.50) SIGMAR1PLA2G1BPLA2G2ALMNACACNA2D1
SCHEMBL611936 1.00 SIGMAR1 (0.50) SIGMAR1PLA2G1BPLA2G2ALMNACACNA2D1
SCHEMBL614707 1.00 SIGMAR1 (0.50) SIGMAR1PLA2G1BPLA2G2ALMNACACNA2D1
SCHEMBL10712750 1.00 SIGMAR1 (0.50) SIGMAR1PLA2G1BPLA2G2ALMNACACNA2D1
SCHEMBL614861 1.00 SIGMAR1 (0.50) SIGMAR1PLA2G1BPLA2G2ALMNACACNA2D1
SCHEMBL614494 1.00 SIGMAR1 (0.50) SIGMAR1PLA2G1BPLA2G2ALMNACACNA2D1
SCHEMBL615431 1.00 SIGMAR1 (0.50) SIGMAR1PLA2G1BPLA2G2ALMNACACNA2D1
SCHEMBL28222365 1.00 SIGMAR1 (0.50) SIGMAR1PLA2G1BPLA2G2ALMNACACNA2D1
SCHEMBL441443 0.97 SIGMAR1 (0.52) SIGMAR1PLA2G1BPLA2G2ALMNACACNA2D1
SCHEMBL10893528 0.95 PLA2G1B (0.48) SIGMAR1PLA2G1BPLA2G2ALMNACACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421874-B1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2015-09-30 EP claimed
US-8979996-B2 Composition containing quaternary amino-functional organosilicon compunds and production and use thereof EVONIK DEGUSSA GMBH (DE) 2015-03-17 US claimed
US-20140208981-A1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2014-07-31 US claimed
US-8728225-B2 Composition containing quaternary amino-functional organosilicon compounds and production and use thereof EVONIK DEGUSSA GMBH (DE) 2014-05-20 US claimed
US-20120037040-A1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2012-02-16 US claimed
US-7129366-B2 Group of a novel anti-cancer compounds with specific structure YANG'S BIOCHEM CO. LTD. (US) 2006-10-31 US claimed
EP-1463707-A4 A GROUP OF NOVEL ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE YANG ZHENHUA (US) 2006-02-01 EP claimed
US-20040204599-A1 Group of novel anti-cancer compounds with specific structure YANG'S BIOCHEM CO. LTD. 2004-10-14 US claimed
EP-1463707-A2 A GROUP OF NOVEL ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE Yang, Zhenhua (US) 2004-10-06 EP claimed
WO-2003014296-A2 A GROUP OF NOVEL ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE YANG ZHENHUA (US) 2003-02-20 WO claimed
EP-2421874-B1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2015-09-30 EP disclosed
US-8979996-B2 Composition containing quaternary amino-functional organosilicon compunds and production and use thereof EVONIK DEGUSSA GMBH (DE) 2015-03-17 US disclosed
US-20140208981-A1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2014-07-31 US disclosed
US-8747541-B2 Dispersion containing silica particles surface-modified with quaternary, aminofunctional organosilicon compounds EVONIK DEGUSSA GMBH (DE) 2014-06-10 US disclosed
US-8728225-B2 Composition containing quaternary amino-functional organosilicon compounds and production and use thereof EVONIK DEGUSSA GMBH (DE) 2014-05-20 US disclosed
US-7129366-B2 Group of a novel anti-cancer compounds with specific structure YANG'S BIOCHEM CO. LTD. (US) 2006-10-31 US disclosed
EP-1463707-A4 A GROUP OF NOVEL ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE YANG ZHENHUA (US) 2006-02-01 EP disclosed
US-20040204599-A1 Group of novel anti-cancer compounds with specific structure YANG'S BIOCHEM CO. LTD. 2004-10-14 US disclosed
EP-1463707-A2 A GROUP OF NOVEL ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE Yang, Zhenhua (US) 2004-10-06 EP disclosed
WO-2003014296-A2 A GROUP OF NOVEL ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE YANG ZHENHUA (US) 2003-02-20 WO 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-20040204599-A1 Group of novel anti-cancer compounds with specific structure FASN, NFKBIA, NFATC1 SIGMAR1 912/4885PLA2G1B 965/4885PLA2G2A 572/4885

“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.