SCHEMBL2955128

SCHEMBL2955128

CCOC(=O)ON=Cc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
FAAH O00519 2/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.48
GSK3B P49841 1/20 0.47
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46

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
SCHEMBL2955127 1.00 CYP1A2 (0.51) CYP1A2KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL13044360 0.81 KMT2A (0.53) CYP1A2KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL13044340 0.79 KMT2A (0.57) CYP1A2KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL11928783 0.77 CYP1A2 (0.53) CYP1A2KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL6117537 0.77 CYP1A2 (0.53) CYP1A2KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL6117540 0.77 CYP1A2 (0.53) CYP1A2KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL9505213 0.75 LMNA (0.48) CYP1A2KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL29176913 0.75 CYP1A2 (0.50) CYP1A2KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4390386 0.75 GSK3B (0.58) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL6894576 0.73 GAA (0.51) KMT2AMEN1POLBGAAHDAC3

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 9 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
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 CYP1A2 2639/4885KMT2A 1530/4885MEN1 2873/4885

“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.