SCHEMBL6902989

SCHEMBL6902989

CC(C)(C)c1ccc(C2CCCCCC2)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
SCHEMBL4329015 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237836-B1 METHOD FOR PRODUCING ALCOHOL/KETONE MIXTURES RHODIA POLYAMIDE INTERMEDIATES (FR) 2004-05-06 EP claimed
US-6677490-B2 DECOMPOSITION OF AN ALKYL HYDROPEROXIDE IN THE PRESENCE OF A CATALYST COMPRISING A CATALYTICALLY ACTIVE METAL ELEMENT IMMOBILIZED ON A SOLID SUPPORT, TO PRODUCE KETONE/ALCOHOL MIXTURE RHODIA POLYAMIDE INTERMEDIATES (FR) 2004-01-13 US claimed
EP-1237836-A1 METHOD FOR PRODUCING ALCOHOL/KETONE MIXTURES RHODIA POLYAMIDE INTERMEDIATES (FR) 2002-09-11 EP claimed
WO-2001044153-A1 METHOD FOR PRODUCING ALCOHOL/KETONE MIXTURES RHODIA POLYAMIDE INTERMEDIATES (FR) 2001-06-21 WO claimed
EP-1237836-B1 METHOD FOR PRODUCING ALCOHOL/KETONE MIXTURES RHODIA POLYAMIDE INTERMEDIATES (FR) 2004-05-06 EP disclosed
US-6677490-B2 DECOMPOSITION OF AN ALKYL HYDROPEROXIDE IN THE PRESENCE OF A CATALYST COMPRISING A CATALYTICALLY ACTIVE METAL ELEMENT IMMOBILIZED ON A SOLID SUPPORT, TO PRODUCE KETONE/ALCOHOL MIXTURE RHODIA POLYAMIDE INTERMEDIATES (FR) 2004-01-13 US disclosed
US-20030097025-A1 Decomposition of an alkyl hydroperoxide in the presence of a catalyst comprising a catalytically active metal element immobilized on a solid support, to produce ketone/alcohol mixture RHODIA POLYAMIDE INTERMEDIATES (FR) 2003-05-22 US disclosed
EP-1237836-A1 METHOD FOR PRODUCING ALCOHOL/KETONE MIXTURES RHODIA POLYAMIDE INTERMEDIATES (FR) 2002-09-11 EP disclosed
WO-2001044153-A1 METHOD FOR PRODUCING ALCOHOL/KETONE MIXTURES RHODIA POLYAMIDE INTERMEDIATES (FR) 2001-06-21 WO disclosed
US-5859301-A OXIDIZING AN ALKANE OR ALKENE TO FORM AN ALKYLHYDROPEROXIDE WHICH IS THEN DECOMPOSED IN THE PRESENCE OF A CATALYST DSM N.V. (NL) 1999-01-12 US disclosed
EP-0577709-B1 PROCESS FOR PREPARING AN ALKANONE AND/OR ALKANOL DSM NV (NL) 1997-01-08 EP disclosed
US-5298665-A Decomposing alkyl hydroperoxide in solvent in presence of catalytic metal compound immobilized on a carrier DSM N.V. (NL) 1994-03-29 US disclosed
EP-0577709-A1 PROCESS FOR PREPARING AN ALKANONE AND/OR ALKANOL. DSM NV (NL) 1994-01-12 EP disclosed
WO-1992016487-A1 PROCESS FOR PREPARING AN ALKANONE AND/OR ALKANOL DSM N.V. (NL) 1992-10-01 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 (1 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-20030097025-A1 Decomposition of an alkyl hydroperoxide in the presence of a catalyst comprising a catalytically active metal element immobilized on a solid support, to produce ketone/alcohol mixture ADH1C, ADH1A, SCO2 SLC6A2 4362/4885CYP3A4 272/4885CYP2C9 772/4885

“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.