SCHEMBL547838

SCHEMBL547838

CCCCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.60
SIGMAR1 Q99720 5/20 0.53
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
PLK1 P53350 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL8776979 0.93 KCNH2 (0.63) KCNH2SIGMAR1ALDH1A1HSD17B10LMNA
SCHEMBL28534367 0.91 KCNH2 (0.61) KCNH2SIGMAR1ALDH1A1HSD17B10LMNA
SCHEMBL28525880 0.91 KCNH2 (0.61) KCNH2SIGMAR1ALDH1A1HSD17B10LMNA
SCHEMBL7655510 0.90 KCNH2 (0.56) KCNH2SIGMAR1CA2CA1PLK1
SCHEMBL12752951 0.90 KCNH2 (0.56) KCNH2SIGMAR1CA2CA1PLK1
SCHEMBL9711161 0.90 ESR1 (0.63) KCNH2CA2CA1ALDH1A1HSD17B10
SCHEMBL7652240 0.89 HPGD (0.50) KCNH2SIGMAR1PLK1ALDH1A1HPGD
SCHEMBL4576536 0.89 KCNH2 (0.50) KCNH2SIGMAR1CA2CA1PLK1
SCHEMBL27508667 0.89 KCNH2 (0.50) KCNH2SIGMAR1CA2CA1PLK1
SCHEMBL31573982 0.88 KCNH2 (0.67) KCNH2SIGMAR1LMNATP53ACHE

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 15 patents. 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
US-12351924-B2 Electroreductive cross coupling OHIO STATE INNOVATION FOUNDATION (US) 2025-07-08 US disclosed
US-20230250539-A1 ELECTROREDUCTIVE CROSS COUPLING OHIO STATE INNOVATION FOUNDATION 2023-08-10 US disclosed
US-8110074-B1 Photochemical method for producing hydrocarbons NECKERS DOUGLAS C (US) 2012-02-07 US disclosed
EP-1313560-B1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2007-12-19 EP 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-1645663-A Non-aqeous electrolytic sotution and lithium accumulator using said non-aqeous electrolytic solution UBE INDUSTRIES (JP) 2005-07-27 CN disclosed
CN-1190863-C Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2005-02-23 CN disclosed
EP-1313560-A4 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2005-02-09 EP disclosed
EP-1313560-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2003-05-28 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 WO disclosed
CN-1290974-A Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2001-04-11 CN disclosed