SCHEMBL2638545

SCHEMBL2638545

CC(C)(C)c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1.[Na+]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 known ✓ P14867 1/20 0.40
GABRB2 known ✓ P47870 1/20 0.40
CA2 known ✓ P00918 2/20 0.33
CA1 known ✓ P00915 1/20 0.33
GABBR2 known ✓ O75899 1/20 0.33
GABBR1 known ✓ Q9UBS5 1/20 0.33
POLB P06746 2/20 0.37
ALDH1A1 P00352 5/20 0.36
ALOX15 P16050 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
ATP2A2 P16615 1/20 0.36
ATP2A3 Q93084 1/20 0.36
HSP90AA1 P07900 1/20 0.35
NR1I2 O75469 2/20 0.34
CYP2C9 P11712 2/20 0.34
TYR P14679 2/20 0.34
HSD17B10 Q99714 2/20 0.34

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
Potassium Ion SCHEMBL11494507 0.95 GABRA1 (0.40) GABRA1GABRB2POLBALDH1A1ALOX15
SCHEMBL7179397 0.95 GABRA1 (0.40) GABRA1GABRB2POLBALDH1A1ALOX15
Lithium Ion SCHEMBL3626995 0.95 GABRA1 (0.40) GABRA1GABRB2POLBALDH1A1ALOX15
SCHEMBL7177257 0.95 GABRA1 (0.40) GABRA1GABRB2POLBALDH1A1ALOX15
SCHEMBL6352500 0.92 GABRA1 (0.39) GABRA1GABRB2POLBALDH1A1ALOX15
SCHEMBL6356731 0.90 GABRA1 (0.37) GABRA1GABRB2POLBALDH1A1ALOX15
SCHEMBL20597506 0.83 CYP2C19 (0.36) GABRA1GABRB2POLBALDH1A1SMN1; SMN2
Butylated Hydroxytoluene SCHEMBL4826096 0.79 SMN1; SMN2 (0.54) POLBALDH1A1ALOX15SMN1; SMN2CYP1A2
SCHEMBL17260932 0.76 POLB (0.50) GABRA1GABRB2POLBALDH1A1ALOX15
Butylated Hydroxytoluene SCHEMBL23090058 0.74 SMN1; SMN2 (0.54) POLBALDH1A1ALOX15SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458823-B Process for preparing unsaturated carboxylic acid salts 巴斯夫欧洲公司 2022-04-19 CN claimed
JP-4822651-B2 2011-11-24 JP claimed
EP-1324967-A1 METHOD OF MAKING METAL SALTS OF PHENOLS GENERAL ELECTRIC COMPANY (US) 2003-07-09 EP claimed
WO-2002026681-A1 METHOD OF MAKING METAL SALTS OF PHENOLS GENERAL ELECTRIC COMPANY (US) 2002-04-04 WO claimed
CN-106458823-B Process for preparing unsaturated carboxylic acid salts 巴斯夫欧洲公司 2022-04-19 CN disclosed
CN-106458824-B Method for preparing unsaturated carboxylic acid salt using aryl oxide 巴斯夫欧洲公司 2020-10-16 CN disclosed
US-6930106-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY (US) 2005-08-16 US disclosed
EP-1525186-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-04-27 EP disclosed
EP-1525183-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-04-27 EP disclosed
EP-1309600-B1 PROCESS FOR THE PREPARATION OF HINDERED PHOSPHITES CROMPTON CORP (US) 2004-08-25 EP disclosed
US-6773624-B2 REACTING GLYCOL SUCH AS PENTAERYTHRITOL WITH PHOSPHORUS TRIHALIDE TO PRODUCE HALO PHOSPHITE ESTER OF GLYCOL, REACTING PRODUCT WITH A PHENOL, REACTING SECOND PRODUCTS COMPRISING ORGANIC PHOSPHITE AND HALO PHOSPHITE WITH METAL PHENOLATE CROMPTON CORPORATION 2004-08-10 US disclosed
US-20040142989-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
EP-1309600-A1 PROCESS FOR THE PREPARATION OF HINDERED PHOSPHITES GENERAL ELECTRIC COMPANY (US) 2003-05-14 EP disclosed
US-20030083530-A1 Metal salts of hindered aromatic phenols GENERAL ELECTRIC CO. 2003-05-01 US disclosed
US-6504065-B1 Reacting phenolic alcohols with alcoholates to obtain phenolates used as stabilizer agents in the reactions of hindered phenol and phosphite esters; kinetics GENERAL ELECTRIC COMPANY 2003-01-07 US disclosed
US-20020193620-A1 Process for the preparation of hindered phosphites GENERAL ELECTRIC CO. 2002-12-19 US disclosed
US-6426429-B1 REACTING A GLYCOL WITH A PHOSPHORUS TRI-HALIDE, REACTING THE HALO PHOSPHITE ESTER PRODUCT WITH A PHENOL, AND FURTHER REACTING ITS PRODUCT WITH A METAL PHENOLATE GENERAL ELECTRIC COMPANY 2002-07-30 US disclosed
WO-2002026681-A1 METHOD OF MAKING METAL SALTS OF PHENOLS GENERAL ELECTRIC COMPANY (US) 2002-04-04 WO disclosed
WO-2002014335-A1 PROCESS FOR THE PREPARATION OF HINDERED PHOSPHITES GENERAL ELECTRIC COMPANY (US) 2002-02-21 WO disclosed
US-6235938-B1 ARYLATION IN THE PRESENCE OF A BASE AND TRANSITION METAL CATALYSTS TO FORM N-ARYLAMINE AND GROUP 8 METAL YALE UNIVERSITY 2001-05-22 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-20030083530-A1 Metal salts of hindered aromatic phenols EP300, BET1, TYR GABRA1 3513/4885GABRB2 3905/4885CA2 41/4885
US-20020193620-A1 Process for the preparation of hindered phosphites PTEN, PTPRS, INPPL1 GABRA1 2468/4885GABRB2 2777/4885CA2 2060/4885
US-20040142989-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 GABRA1 4448/4885GABRB2 4589/4885CA2 4610/4885

“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.