SCHEMBL2956027

SCHEMBL2956027

CCc1c(CC)c(OC)c(CC)c(CC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
CA2 P00918 3/20 0.38
CA4 P22748 3/20 0.38
CA1 P00915 2/20 0.38
CA6 P23280 2/20 0.38
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TUBB1 Q9H4B7 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
SCHEMBL25329798 0.86 PTGS2 (0.34) PTGS2CA2CA4CA1CA6
SCHEMBL19526038 0.83 PTGS2 (0.40) PTGS2CA2CA4CA1CA6
SCHEMBL10050183 0.82 PTGS2 (0.36) PTGS2CA2CA4CA1CA6
SCHEMBL25328660 0.78 ALOX5 (0.34) PTGS2
SCHEMBL10749887 0.78 PTGS2 (0.43) PTGS2CA2CA4CA1CA6
SCHEMBL28116022 0.78 ALOX5 (0.33) PTGS2CA2CA4CA1CA6
SCHEMBL5587793 0.76 ALOX5 (0.33) PTGS2CA2CA4
SCHEMBL25327553 0.74 IMPDH2 (0.36) PTGS2
SCHEMBL10751874 0.74 PTGS2 (0.31) PTGS2
SCHEMBL13754115 0.74 CA2 (0.58) PTGS2CA2CA4CA1CA6

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
CN-100517856-C Redox pairs for over-discharge protection in rechargeable lithium-ion batteries 3M INNOVATION CO LTD (US) 2009-07-22 CN disclosed
CN-1969421-A Redox shuttle for overdischarge protection in rechargeable lithium-ion batteries 3M INNOVATIVE PROPERTIES CO (US) 2007-05-23 CN 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 PTGS2 3174/4885CA2 1690/4885CA4 1739/4885

“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.