SCHEMBL846064

SCHEMBL846064

CC(C)(c1ccccc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
CHRM2 P08172 8/20 0.45
CHRM1 P11229 8/20 0.45
CYP2D6 P10635 4/20 0.45
KCNH2 Q12809 4/20 0.45
CYP2B6 P20813 1/20 0.44
CHRM3 P20309 10/20 0.42
CHRM4 P08173 5/20 0.42
CHRM5 P08912 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
HRH1 P35367 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL10995009 0.98 KEAP1 (0.50) KEAP1NFE2L2CHRM2CHRM1CYP2D6
SCHEMBL6387270 0.81 TSHR (0.44) CYP3A4TSHRTDP1MAPT
SCHEMBL18415154 0.81 KEAP1 (0.56) KEAP1NFE2L2CHRM2CHRM1CYP2D6
SCHEMBL9906166 0.81 KEAP1 (0.56) KEAP1NFE2L2CHRM2CHRM1CYP2D6
SCHEMBL13131231 0.81 KEAP1 (0.56) KEAP1NFE2L2CHRM2CHRM1CYP2D6
SCHEMBL16191309 0.81 CYP2C9 (0.44) KEAP1NFE2L2CYP2D6CYP2B6CHRM3
SCHEMBL13429177 0.81 KEAP1 (0.56) KEAP1NFE2L2CHRM2CHRM1CYP2D6
SCHEMBL11868460 0.80 KEAP1 (0.50) KEAP1NFE2L2CHRM2CHRM1CYP2D6
SCHEMBL23747060 0.79 CYP19A1 (0.49) CYP2D6CYP3A4MAPT
SCHEMBL17885865 0.79 KEAP1 (0.46) KEAP1NFE2L2CHRM2CHRM1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023070262-A1 DEVICE AND METHOD FOR PRODUCING CUMENE BY HYDROGENOLYSIS OF α,α-DIMETHYLBENZYL ALCOHOL 万华化学集团股份有限公司 2023-05-04 WO disclosed
US-20150004484-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-01-01 US disclosed
EP-2797153-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
CN-104011928-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-08-27 CN disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
CN-102190599-A Phase-transfer catalysis method for preparing 2-substituent-2-benzene glutaronitrile UNIV NORTHWEST NORMAL 2011-09-21 CN disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-7297754-B2 Method for the preparation of aromatic chloroformates GENERAL ELECTRIC COMPANY (US) 2007-11-20 US disclosed
US-20060293535-A1 Method for the preparation of aromatic chloroformates SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2006-12-28 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO disclosed
US-5650262-A High-resolution negative photoresist with wide process latitude OLIN MICROELECTRONIC CHEMICALS, INC. 1997-07-22 US disclosed
EP-0599779-A1 High-resolution negative photoresist having extended processing latitude OCG Microelectronic Materials AG (CH) 1994-06-01 EP disclosed
EP-0037167-B1 MANUFACTURE OF HYDROPEROXIDES THE STANDARD OIL COMPANY (US) 1983-12-14 EP disclosed
US-4293719-A OXIDATION, OXIDATION CATALYSTS, AMINES THE STANDARD OIL COMPANY (US) 1981-10-06 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 (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-20060293535-A1 Method for the preparation of aromatic chloroformates PAH, CYP8B1, HPD KEAP1 2098/4885NFE2L2 2203/4885CHRM2 2057/4885
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 KEAP1 880/4885NFE2L2 1796/4885CHRM2 659/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 KEAP1 880/4885NFE2L2 1796/4885CHRM2 659/4885

“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.