SCHEMBL2953403

SCHEMBL2953403

COc1c2c(c(OC)c3c1C1CCC3CC1)C1CCC2CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.32
ABCB1 P08183 1/20 0.32
PTAFR P25105 2/20 0.32
BCL9 O00512 1/20 0.30
CTNNB1 P35222 1/20 0.30
PTPN1 P18031 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL2944998 0.88 ADRA1A (0.38) ADRA1APTAFR
SCHEMBL9817559 0.78 TDP1 (0.37)
SCHEMBL19363662 0.70
SCHEMBL2049251 0.70 SLC6A3 (0.32) PTAFRBCL9CTNNB1PTPN1ACHE
SCHEMBL20562009 0.69 GABRA1 (0.30)
SCHEMBL17087121 0.64 ACHE (0.50) ADRA1AABCB1ACHE
SCHEMBL4424922 0.63 PDE10A (0.39)
SCHEMBL724669 0.62 ADRA1A (0.36) ADRA1A
SCHEMBL8213378 0.62 ALDH1A1 (0.44) PTPN1ACHE
SCHEMBL20561999 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9601806-B2 Redox shuttle additives for lithium-ion batteries UCHICAGO ARGONNE, LLC (US) 2017-03-21 US disclosed
US-9005822-B2 Functional electrolyte for lithium-ion batteries UCHICAGO ARGONNE, LLC (US) 2015-04-14 US disclosed
US-20140255793-A1 FUNCTIONAL ELECTROLYTE FOR LITHIUM-ION BATTERIES UCHICAGO ARGONNE, LLC (US) 2014-09-11 US disclosed
US-20140234703-A1 REDOX SHUTTLE ADDITIVES FOR LITHIUM-ION BATTERIES UCHICAGO ARGONNE, LLC (US) 2014-08-21 US disclosed
WO-2013032593-A2 REDOX SHUTTLES FOR OVERCHARGE PROTECTION OF LITHIUM BATTERIES UCHICAGO ARGONNE, LLC (US) 2013-03-07 WO disclosed
US-7648801-B2 Lithium battery with series-connected cells having a shuttle of 2,5-di-tert--butyl-1,4-dimethoxybenzene; limits the negative electrode potential to a value slightly above that of positive electrode maximum normal operating potential toprevent negative electrode from reaching a higher damaging one 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-01-19 US disclosed
US-20080266642-A1 DURABLE ELECTROOPTIC DEVICES COMPRISING IONIC LIQUIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-10-30 US disclosed
US-20080266642-A1 DURABLE ELECTROOPTIC DEVICES COMPRISING IONIC LIQUIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-10-30 US disclosed
EP-1756905-A2 REDOX SHUTTLE FOR OVERDISCHARGE PROTECTION IN RECHARGEABLE LITHIUM-ION BATTERIES 3M Innovative Properties Company (US) 2007-02-28 EP disclosed
WO-2005099025-A2 REDOX SHUTTLE FOR OVERDISCHARGE PROTECTION IN RECHARGEABLE LITHIUM-ION BATTERIES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-20 WO disclosed
US-20050221168-A1 Redox shuttle for overdischarge protection in rechargeable lithium-ion batteries DAHN JEFFREY R 2005-10-06 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-20140255793-A1 FUNCTIONAL ELECTROLYTE FOR LITHIUM-ION BATTERIES LAGE3, KCNE1, KCNB2 ADRA1A 4788/4885ABCB1 1011/4885PTAFR 4367/4885

“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.