SCHEMBL1082728

SCHEMBL1082728

C=CCN1C=CN(Cc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ CTSG P08311 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ CTRC Q99895 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ FUCA1 P04066 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL1044027 0.84 SIGMAR1 (0.52) SIGMAR1ALDH1A1F2PLGELANE
SCHEMBL534294 0.83 MAPT (0.37) SIGMAR1ALDH1A1LMNAPOLB
Bromide SCHEMBL1046639 0.82 SIGMAR1 (0.50) SIGMAR1ALDH1A1F2PLGELANE
Hydrochloric Acid SCHEMBL9343069 0.82 SIGMAR1 (0.50) SIGMAR1ALDH1A1F2PLGELANE
SCHEMBL1403573 0.79 SIGMAR1 (0.39) SIGMAR1ALDH1A1F2PLGELANE
SCHEMBL87312 0.78 CYP3A4 (0.32) ADRA1DADRA1AADRA1BCYP3A4
Hydrochloric Acid SCHEMBL4647603 0.77 SIGMAR1 (0.38) SIGMAR1ALDH1A1F2PLGELANE
Bromide SCHEMBL28938863 0.77 SIGMAR1 (0.38) SIGMAR1ALDH1A1F2PLGELANE
Bromide SCHEMBL1045354 0.76 CYP3A4 (0.31) ADRA1DADRA1AADRA1BCYP3A4
Iodide SCHEMBL2341578 0.76 CYP3A4 (0.31) ADRA1DADRA1AADRA1BCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835649-B2 Method of synthesizing organic molecules using ionic liquids comprising a carbanion VTU HOLDING GMBH (AT) 2014-09-16 — — US claimed
CN-102867989-A Non-aqueous electrolyte ionic liquid additive for improving high-temperature performance of battery INST PROCESS ENG CAS 2013-01-09 — — CN claimed
US-20120136161-A1 Method of Synthesizing Organic Molecules VTU HOLDING GMBH (AT) 2012-05-31 — — US claimed
CN-113517470-A High-nickel high-voltage ternary lithium ion battery non-aqueous electrolyte and lithium ion battery 杉杉新材料(衢州)有限公司 2021-10-19 — — CN disclosed
CN-113394450-A Lithium cobaltate high-voltage lithium ion battery non-aqueous electrolyte and lithium ion battery 杉杉新材料(衢州)有限公司 2021-09-14 — — CN disclosed
EP-3272740-A2 HIGH STABILITY DIIONIC LIQUID SALTS Sigma-Aldrich Co. LLC (US) 2018-01-24 — — EP disclosed
US-9782746-B2 Polymeric ionic liquids, methods of making and methods of use thereof THE UNIVERSITY OF TOLEDO (US) 2017-10-10 — — US disclosed
EP-3095789-A1 BIOMASS HYDROLYSIS Wisconsin Alumni Research Foundation (US) 2016-11-23 — — EP disclosed
EP-2448951-B1 BIOMASS HYDROLYSIS WISCONSIN ALUMNI RES FOUND (US) 2016-06-01 — — EP disclosed
US-20160114309-A1 Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof THE UNIVERSITY OF TOLEDO (US) 2016-04-28 — — US disclosed
US-9249261-B2 Polymeric ionic liquids, methods of making and methods of use thereof THE UNIVERSITY OF TOLEDO (US) 2016-02-02 — — US disclosed
US-8168830-B2 use of these novel ionic liquids having bis-cation or bis-anion separated by bridging group as the stationary phase in a gas chromatographic column SIGMA-ALDRICH CO. LLC (US) 2012-05-01 — — US disclosed
US-20110236295-A1 Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof UNIVERSITY OF TOLEDO (US) 2011-09-29 — — US disclosed
US-20110065159-A1 BIOMASS HYDROLYSIS UNITED STATES DEPARTMENT OF ENERGY 2011-03-17 — — US disclosed
WO-2011002660-A1 BIOMASS HYDROLYSIS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-01-06 — — WO disclosed
EP-1773785-A4 HIGH STABILITY DIIONIC LIQUID SALTS SIGMA ALDRICH CO (US) 2009-07-22 — — EP disclosed
US-20080027231-A1 High stability diionic liquid salts SIGMA-ALDRICH CO. (US) 2008-01-31 — — US disclosed
EP-1773785-A2 HIGH STABILITY DIIONIC LIQUID SALTS Sigma-Aldrich Co. (US) 2007-04-18 — — EP disclosed
US-20060025598-A1 High stability diionic liquid salts ADVANCED SEPARATION TECHNOLOGIES INC. (US) 2006-02-02 — — US disclosed
WO-2006012513-A2 HIGH STABILITY DIIONIC LIQUID SALTS SIGMA-ALDRICH CO. (US) 2006-02-02 — — 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 (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-20080027231-A1 High stability diionic liquid salts H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDHD5, DAD1 SIGMAR1 3046/4885ALDH1A1 3023/4885GAA 4214/4885
US-20120136161-A1 Method of Synthesizing Organic Molecules ICMT, DNMT3A, DNMT1 SIGMAR1 2537/4885ALDH1A1 1042/4885GAA 3135/4885
US-20060025598-A1 High stability diionic liquid salts H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DCLK2, HDHD5 SIGMAR1 3443/4885ALDH1A1 3274/4885GAA 4308/4885

“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.

Send feedback