SCHEMBL2952017

SCHEMBL2952017

CCC(C)(C)c1cc(OC)c(OC)cc1C(C)(C)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HTR2A P28223 2/20 0.40
MAPT P10636 2/20 0.37
CA2 P00918 2/20 0.37
PTGS2 P35354 1/20 0.37
HMGCR P04035 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PGK1 P00558 2/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 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
SCHEMBL2955499 0.91 CYP3A4 (0.47) CYP3A4LMNATP53HPGDALOX15
SCHEMBL10262858 0.81 MEN1 (0.44) CYP3A4LMNATP53HPGDALOX15
SCHEMBL12352170 0.77 LMNA (0.37) CYP3A4LMNATP53HPGDALOX15
SCHEMBL2945026 0.76 CA1 (0.48) TP53CA2ALDH1A1MEN1MAPK1
SCHEMBL14685760 0.76 ALOX15 (0.56) CYP3A4LMNATP53HPGDALOX15
SCHEMBL805037 0.76 CA12 (0.50) CYP3A4LMNAHPGDMAPTCA2
SCHEMBL8655138 0.76 MAPK1 (0.56) LMNAMAPTALDH1A1MEN1MAPK1
SCHEMBL22624202 0.76 ALDH1A1 (0.50) CYP3A4HTR2AMAPTCA2ALDH1A1
SCHEMBL11449777 0.76 ACHE (0.50) CYP3A4HPGDMAPTALDH1A1MEN1
SCHEMBL23463350 0.74 ATM (0.37) LMNAHPGDMAPTCA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1733450-B1 REDOX SHUTTLE FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES CO (US) 2010-12-08 EP claimed
US-7811710-B2 Redox shuttle for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-10-12 US claimed
US-20050221196-A1 Redox shuttle for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY 2005-10-06 US claimed
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
EP-1733450-B1 REDOX SHUTTLE FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES CO (US) 2010-12-08 EP disclosed
US-7811710-B2 Redox shuttle for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-10-12 US 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
EP-1733450-A2 REDOX SHUTTLE FOR RECHARGEABLE LITHIUM-ION CELL 3M Innovative Properties Company (US) 2006-12-20 EP disclosed
WO-2005099024-A2 REDOX SHUTTLE FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-20 WO 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-20050221196-A1 Redox shuttle for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY 2005-10-06 US 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 CYP3A4 1329/4885LMNA 1571/4885TP53 664/4885

“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.