SCHEMBL4329015

SCHEMBL4329015

CC(C)(C)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
CNR2 P34972 4/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.44
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
NPY4R P50391 1/20 0.43
NPY5R Q15761 1/20 0.43
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TP53 P04637 1/20 0.42
HTR2C P28335 1/20 0.41

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
SCHEMBL6902989 1.00 SLC6A2 (0.49) SLC6A2CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL5146562 0.98 SLC6A2 (0.46) SLC6A2CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL5144848 0.93 CNR2 (0.49) SLC6A2CNR2SLC6A4SLC6A3TP53
SCHEMBL17858135 0.89 EPHX1 (0.48) SLC6A2CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL628247 0.89 TSHR (0.46) SLC6A2CNR2ALDH1A1NPY1RNPY2R
SCHEMBL20210326 0.88 RAB9A (0.41) SLC6A2CYP3A4CYP2C9HDAC8HDAC6
Tert-Butylbenzene SCHEMBL4814841 0.86 SLC18A3 (0.49) CYP2C9ALDH1A1TSHR
SCHEMBL15317742 0.81 HTR2C (0.59) CNR2HTR2C
SCHEMBL9842611 0.81 RAB9A (0.43) SLC6A2CYP3A4CYP2C9CNR2RAB9A
SCHEMBL6275125 0.81 HDAC8 (0.52) HDAC8HDAC6HDAC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6503662-B1 Tert-butylbenzene derivative prevents oxidation and decomposition of solvent at the time of charging which causes decreased battery characteristics UBE INDUSTRIES, LTD. (JP) 2003-01-07 US claimed
CN-1290974-A Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2001-04-11 CN claimed
CN-117229111-A Dehydroaromatization method for aryl cyclic hydrocarbon 五邑大学 2023-12-15 CN disclosed
US-9831525-B2 Non-aqueous electrolyte secondary battery and method of fabricating same TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2017-11-28 US disclosed
US-9780377-B2 Non-aqueous electrolyte secondary battery and method for producing same TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2017-10-03 US disclosed
US-20150086851-A1 NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY AND METHOD FOR PRODUCING SAME OF FABRICATING SAME TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2015-03-26 US disclosed
US-20150004448-A1 NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY AND METHOD FOR PRODUCING SAME TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2015-01-01 US disclosed
US-7566683-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-28 US disclosed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US disclosed
WO-2007100161-A1 METHOD FOR PREFERENTIAL PRODUCTION OF GEOMETRIC ISOMERS AND ISOLATION METHOD NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-07 WO disclosed
CN-100336267-C Non-aqeous electrolytic sotution and lithium accumulator using said non-aqeous electrolytic solution UBE IND CORP (JP) 2007-09-05 CN disclosed
CN-1190863-C Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2005-02-23 CN disclosed
US-20030216394-A1 Etylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-20 US disclosed
EP-1360901-A1 2,3-cyclic substituted derivatives of 3-hydroxyacrolein and 3-hydroxyacrylic acid as pesticides NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2003-11-12 EP disclosed
EP-0913392-B1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL IND LTD (JP) 2003-07-02 EP disclosed
US-6462049-B1 LOW TOXICITY AND PERSISTENT INSECTICIDES AND FUNGICIDES; PREVENTING ATTACHMENT OF AQUATIC ORGANISMS; ECOSYSTEM FRIENDLY; NONPOLLUTING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-08 US disclosed
US-6399653-B1 METABOLISM DIORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 2002-06-04 US disclosed
CN-1290974-A Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2001-04-11 CN disclosed
US-6063734-A AGRICULTURAL CHEMICALS, AGENTS FOR PREVENTING ATTACHMENT OF AQUATIC ORGANISMS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 EP 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 (2 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-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 SLC6A2 2171/4885CYP3A4 454/4885CYP2C9 635/4885
US-20030216394-A1 Etylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL SLC6A2 4396/4885CYP3A4 92/4885CYP2C9 94/4885

“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.