SCHEMBL9979060

SCHEMBL9979060

CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCO2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
ALDH1A1 P00352 6/20 0.33
CYP3A4 P08684 2/20 0.33
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
HTT P42858 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
GAA P10253 1/20 0.30
XBP1 P17861 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
SCHEMBL12401856 0.85 SMN1; SMN2 (0.42) ALDH1A1CYP3A4POLBSMN1; SMN2
SCHEMBL12020341 0.85 GABBR2 (0.36) GABBR2GABBR1SMN1; SMN2MAPK1GABRA1
SCHEMBL14452703 0.82 GABBR2 (0.37) GABBR2GABBR1ALDH1A1POLBMAPK1
SCHEMBL21346939 0.81 GABBR2 (0.35) GABBR2GABBR1
SCHEMBL12217127 0.81 ALDH1A1 (0.33) ALDH1A1CYP3A4POLBSMN1; SMN2MAPK1
SCHEMBL15828714 0.80 CYP2C19 (0.36) ALDH1A1CYP3A4POLBSMN1; SMN2MAPK1
SCHEMBL12401759 0.79 ALDH1A1 (0.32) ALDH1A1CYP3A4POLBSMN1; SMN2
SCHEMBL12217144 0.79 NPC1 (0.34) ALDH1A1CYP3A4SMN1; SMN2MAPK1LMNA
SCHEMBL19648626 0.79 ELANE (0.36) GABBR2GABBR1GABRA1GABRB2
SCHEMBL12118453 0.79 ALDH1A1 (0.39) ALDH1A1CYP3A4SMN1; SMN2MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9293789-B2 Redox shuttles for lithium ion batteries UCHICAGO ARGONNE, LLC (US) 2016-03-22 US claimed
US-20150037691-A1 REDOX SHUTTLES FOR LITHIUM ION BATTERIES ENERGY, UNITED STATES DEPARTMENT OF 2015-02-05 US claimed
US-8877390-B2 Redox shuttles for lithium ion batteries UCHICAGO ARGONNE, LLC (US) 2014-11-04 US claimed
US-20110294017-A1 REDOX SHUTTLES FOR LITHIUM ION BATTERIES ENERGY, UNITED STATES DEPARTMENT OF 2011-12-01 US claimed
US-12600858-B2 Ion selective membranes for organic electrochemical processes UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2026-04-14 US disclosed
US-11916198-B2 Fast-charging lithium ion batteries with electrolytes that do not react on the anodes StoreDot Ltd. (IL) 2024-02-27 US disclosed
US-20230099030-A1 ION SELECTIVE MEMBRANES FOR ORGANIC ELECTROCHEMICAL PROCESSES NATIONAL SCIENCE FOUNDATION 2023-03-30 US disclosed
US-11271237-B2 Organic redox molecules for flow batteries UCHICAGO ARGONNE, LLC (US) 2022-03-08 US disclosed
WO-2021188977-A1 ION SELECTIVE MEMBRANES FOR ORGANIC ELECTROCHEMICAL PROCESSES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-09-23 WO disclosed
US-20210203002-A1 FAST-CHARGING LITHIUM ION BATTERIES WITH ELECTROLYTES THAT DO NOT REACT ON THE ANODES StoreDot Ltd. (IL) 2021-07-01 US disclosed
US-20210036355-A1 ORGANIC REDOX MOLECULES FOR FLOW BATTERIES UNITED STATES DEPARTMENT OF ENERGY 2021-02-04 US disclosed
US-10424806-B2 Organic non-aqueous cation-based redox flow batteries UCHICAGO ARGONNE, LLC (US) 2019-09-24 US disclosed
US-8877390-B2 Redox shuttles for lithium ion batteries UCHICAGO ARGONNE, LLC (US) 2014-11-04 US disclosed
US-8877390-B2 Redox shuttles for lithium ion batteries UCHICAGO ARGONNE, LLC (US) 2014-11-04 US disclosed
US-8877390-B2 Redox shuttles for lithium ion batteries UCHICAGO ARGONNE, LLC (US) 2014-11-04 US disclosed
WO-2014090877-A1 (HETERO)AROMATIC ISO(THIO)CYANATES AS REDOX SHUTTLE ADDITIVES FOR ELECTROCHEMICAL CELLS Rockwood Lithium GmbH (DE) 2014-06-19 WO disclosed
US-20130224538-A1 ORGANIC NON-AQUEOUS CATION-BASED REDOX FLOW BATTERIES UCHICAGO ARGONNE LLC (US) 2013-08-29 US disclosed
US-20110294017-A1 REDOX SHUTTLES FOR LITHIUM ION BATTERIES ENERGY, UNITED STATES DEPARTMENT OF 2011-12-01 US disclosed
US-20110294017-A1 REDOX SHUTTLES FOR LITHIUM ION BATTERIES ENERGY, UNITED STATES DEPARTMENT OF 2011-12-01 US disclosed
US-20110294017-A1 REDOX SHUTTLES FOR LITHIUM ION BATTERIES ENERGY, UNITED STATES DEPARTMENT OF 2011-12-01 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 (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-11271237-B2 Organic redox molecules for flow batteries GPX1, LPO, GPX4 GABBR2 4132/4885GABBR1 4119/4885ALDH1A1 286/4885
US-12600858-B2 Ion selective membranes for organic electrochemical processes PHOSPHO1, SLC6A12, VDAC3 GABBR2 3325/4885GABBR1 2979/4885ALDH1A1 1898/4885
US-20210036355-A1 ORGANIC REDOX MOLECULES FOR FLOW BATTERIES GPX1, LPO, GPX4 GABBR2 4132/4885GABBR1 4119/4885ALDH1A1 286/4885

“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.