SCHEMBL612962

SCHEMBL612962

CN(C)C1CCCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 8/20 0.50
ADH1C P00326 5/20 0.50
PHGDH O43175 2/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
ADH1B P00325 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
HRH4 Q9H3N8 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADH4 P08319 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34

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
SCHEMBL15595 1.00
SCHEMBL1679002 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL3080635 1.00
SCHEMBL1674941 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL283931 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL13356252 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL612785 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL28469806 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL20733112 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL28251831 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210343994-A1 SYSTEMS AND METHODS FOR POTASSIUM ENHANCING SILICON-CONTAINING ANODES FOR IMPROVED CYCLABILITY CHONGQING JINKANG NEW ENERGY AUTOMOBILE CO., LTD. (CN) 2021-11-04 US disclosed
EP-3633380-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 Taiho Pharmaceutical Co., Ltd. (JP) 2020-04-08 EP disclosed
US-20200039941-A1 CXCR4 CHEMOKINE RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH 2020-02-06 US disclosed
US-10435375-B2 CXCR4 chemokine receptor modulators NORTHWESTERN UNIVERSITY (US) 2019-10-08 US disclosed
WO-2018102751-A1 IRE1 SMALL MOLECULE INHIBITORS QUENTIS THERAPEUTICS, INC. (US) 2018-06-07 WO disclosed
US-20180155295-A1 CXCR4 CHEMOKINE RECEPTOR MODULATORS NORTHWESTERN UNIVERSITY 2018-06-07 US disclosed
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-8728225-B2 Composition containing quaternary amino-functional organosilicon compounds and production and use thereof EVONIK DEGUSSA GMBH (DE) 2014-05-20 US disclosed
EP-2421874-A1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF Evonik Degussa GmbH (DE) 2012-02-29 EP disclosed
US-20120037040-A1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2012-02-16 US disclosed
WO-2010121873-A1 COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2010-10-28 WO disclosed
EP-0054748-B1 PROCESS FOR THE PREPARATION OF AQUEOUS SOLUTIONS OF CATIONIC ORGANOSILICIUM COMPOUNDS Degussa Aktiengesellschaft (DE) 1984-09-26 EP disclosed
US-4390712-A Aqueous solution of cationic organosilicon compounds and process for the production of the solutions DEGUSSA AG (DE) 1983-06-28 US disclosed
EP-0054748-A2 Process for the preparation of aqueous solutions of cationic organosilicium compounds Degussa Aktiengesellschaft (DE) 1982-06-30 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 (3 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-10435375-B2 CXCR4 chemokine receptor modulators CXCR4, ACKR3, CXCR3 ADH1A 2418/4885ADH1C 3168/4885PHGDH 3868/4885
US-20180155295-A1 CXCR4 CHEMOKINE RECEPTOR MODULATORS CXCR4, ACKR3, CXCR3 ADH1A 2418/4885ADH1C 3168/4885PHGDH 3868/4885
US-20200039941-A1 CXCR4 CHEMOKINE RECEPTOR MODULATORS CXCR4, ACKR3, CXCR3 ADH1A 2418/4885ADH1C 3168/4885PHGDH 3868/4885

“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.