SCHEMBL5308509

SCHEMBL5308509

Cc1cc[n+](C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA7 P36544 1/20 0.35
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
CHKA P35790 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
Iodide SCHEMBL1750930 0.97 HTT (0.38) ACHEHTTLMNAALDH1A1TDP1
SCHEMBL16183106 0.79 NFE2L2 (0.48) ALDH1A1KDM4ESMN1; SMN2CA1
SCHEMBL22953081 0.79 SLC22A2 (0.38) HTTLMNAALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL3381181 0.77 PABPC1 (0.37) HTTLMNAALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL9358685 0.76 HTT (0.40) ACHEHTTLMNAALDH1A1TDP1
SCHEMBL5325200 0.74 TYR (0.37) HTTLMNAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL20507847 0.74 HTT (0.35) ACHEHTTLMNAALDH1A1TDP1
SCHEMBL1171636 0.72 KDM4E (0.38) ACHEHTTLMNAALDH1A1TDP1
SCHEMBL5287705 0.72 TP53 (0.43) LMNAALDH1A1TDP1SMN1; SMN2TSHR
SCHEMBL20382822 0.70 SLC6A4 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11996557-B2 Direct regeneration of lithium ion cathodes by ionothermal relithiation UT-BATTELLE, LLC (US) 2024-05-28 US disclosed
US-11795583-B2 Plasticized melt spinning process using ionic liquids for production of polyacrylonitrile fibers UT-BATTELLE, LLC (US) 2023-10-24 US disclosed
US-20230246229-A1 ORGANIC SULFONATE ELECTROLYTE ADDITIVES FOR ZINC BATTERIES Octet Scientific, Inc. 2023-08-03 US disclosed
US-20220376240-A1 DIRECT REGENERATION OF LITHIUM ION CATHODES BY IONOTHERMAL RELITHIATION U. S. DEPARTMENT OF ENERGY 2022-11-24 US disclosed
US-20220235493-A1 PLASTICIZED MELT SPINNING PROCESS USING IONIC LIQUIDS FOR PRODUCTION OF POLYACRYLONITRILE FIBERS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2022-07-28 US disclosed
US-11251433-B2 Nitrogen-sulfur-carbon nanocomposites and their application as cathode materials in lithium-sulfur batteries UT-BATTELLE, LLC (US) 2022-02-15 US disclosed
US-20220024899-A1 BI-FUNCTIONAL NANOHYBRIDS SON (FR) 2022-01-27 US disclosed
EP-3669978-A1 BI-FUNCTIONAL NANOHYBRIDS Université de Bourgogne (FR) 2020-06-24 EP disclosed
US-20180309130-A1 NITROGEN-SULFUR-CARBON NANOCOMPOSITES AND THEIR APPLICATION AS CATHODE MATERIALS IN LITHIUM-SULFUR BATTERIES UT-BATTELLE, LLC (US) 2018-10-25 US disclosed
US-8835466-B2 Synthesis and uses of pyroglutamic acid derivatives PRODIMED, S.A. (ES) 2014-09-16 US disclosed
US-8084617-B2 Ionic liquids having fluoroalkyltrifluoroborate anions MERCK PATENT GMBH (DE) 2011-12-27 US disclosed
US-7671206-B2 Synthesis and uses of pyroglutamic acid derivatives PRODIMED, S.A. (ES) 2010-03-02 US disclosed
US-20090163555-A1 SYNTHESIS AND USES OF PYROGLUTAMIC ACID DERIVATIVES PRODIMED, S.A. (ES) 2009-06-25 US disclosed
WO-2008054866-A2 METHOD OF MAKING ORDERED NANOSTRUCTURED LAYERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-05-08 WO disclosed
US-20070249678-A1 SYNTHESIS AND USES OF PYROGLUTAMIC ACID DERIVATIVES PRODIMED, S.A. (ES) 2007-10-25 US disclosed
US-20070213538-A1 Ionic Liquids Having Fluoroalkyltrifluoroborate Anions MERCK PATENT GMBH (DE) 2007-09-13 US disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed
EP-1730157-A1 IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS MERCK PATENT GmbH (DE) 2006-12-13 EP disclosed
WO-2005105815-A1 IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2005-11-10 WO 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 (4 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-20070249678-A1 SYNTHESIS AND USES OF PYROGLUTAMIC ACID DERIVATIVES GLUL, RIMKLA, PHKG1 ACHE 4329/4885HTT 743/4885LMNA 2747/4885
US-20220024899-A1 BI-FUNCTIONAL NANOHYBRIDS MPO, DNMT1, CAT ACHE 244/4885HTT 4349/4885LMNA 3381/4885
US-20070213538-A1 Ionic Liquids Having Fluoroalkyltrifluoroborate Anions AFF1, AFF2, AFF4 ACHE 4409/4885HTT 1452/4885LMNA 998/4885
US-20090163555-A1 SYNTHESIS AND USES OF PYROGLUTAMIC ACID DERIVATIVES GLUL, RIMKLA, GLS ACHE 4188/4885HTT 1655/4885LMNA 2619/4885

“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.