SCHEMBL3689458

SCHEMBL3689458

COc1cc(O)c2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX5 P09917 1/20 0.41
RXRA P19793 2/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HNF4A P41235 1/20 0.35
ABL1 P00519 3/20 0.35
BCR P11274 3/20 0.35
ABCB1 P08183 2/20 0.35

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
SCHEMBL3692773 0.81 CYP1A2 (0.47) CYP3A4TP53CYP1A2RXRARXRB
SCHEMBL6261249 0.79 TAAR1 (0.38) CYP3A4TP53CYP1A2RXRARXRB
SCHEMBL9215514 0.76 CYP1A2 (0.46) CYP3A4TP53CYP1A2RXRARXRB
SCHEMBL12809929 0.74 CYP1A2 (0.44) CYP3A4TP53CYP1A2RXRARXRB
SCHEMBL3063968 0.74 CYP1A2 (0.44) CYP3A4TP53CYP1A2RXRARXRB
SCHEMBL9217030 0.71 TP53 (0.46) TP53CYP1A2RXRARXRBRXRG
SCHEMBL29462816 0.71 RXRA (0.53) CYP3A4RXRARXRBRXRGMAPK1
SCHEMBL4420031 0.71 RXRA (0.53) CYP3A4RXRARXRBRXRGMAPK1
SCHEMBL1406907 0.70 HNF4A (0.43) CYP3A4TP53CYP1A2RXRARXRB
SCHEMBL6032644 0.70 TP53 (0.41) TP53CYP1A2RXRAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8241855-B2 Method for detecting cytosine methylations EPIGENOMICS AG (DE) 2012-08-14 US claimed
EP-1325154-B1 METHOD FOR THE DETECTION OF CYTOSINE METHYLATIONS EPIGENOMICS AG (DE) 2007-08-01 EP claimed
US-7118868-B2 Method for detecting cytosine methylations EPIGENOMICS AG (DE) 2006-10-10 US claimed
EP-1707642-A2 Method for detecting cytosine methylations Epigenomics AG (DE) 2006-10-04 EP claimed
EP-1294945-B1 METHOD FOR DETECTING CYTOSINE METHYLATIONS EPIGENOMICS AG (DE) 2006-08-30 EP claimed
US-20040152080-A1 Method for detecting cytosine methylations QIAGEN GMBH (DE) 2004-08-05 US claimed
EP-1325154-A2 METHOD FOR THE DETECTION OF CYTOSINE METHYLATIONS Epigenomics AG (DE) 2003-07-09 EP claimed
EP-1294945-A2 METHOD FOR DETECTING CYTOSINE METHYLATIONS Epigenomics AG (DE) 2003-03-26 EP claimed
WO-2002031186-A2 METHOD FOR THE DETECTION OF CYTOSINE METHYLATIONS EPIGENOMICS AG (DE) 2002-04-18 WO claimed
WO-2001098528-A2 METHOD FOR DETECTING CYTOSINE METHYLATIONS EPIGENOMICS AG (DE) 2001-12-27 WO claimed
US-8377638-B2 Process for the detection of cytosine methylations QIAGEN GMBH (DE) 2013-02-19 US disclosed
US-8241855-B2 Method for detecting cytosine methylations EPIGENOMICS AG (DE) 2012-08-14 US disclosed
US-20100297614-A1 PROCESS FOR THE DETECTION OF CYTOSINE METHYLATIONS QIAGEN GMBH (DE) 2010-11-25 US disclosed
EP-1977011-B1 PROCESS FOR THE DETECTION OF CYTOSINE METHYLATIONS QIAGEN GMBH (DE) 2010-07-28 EP disclosed
EP-1977011-A1 PROCESS FOR THE DETECTION OF CYTOSINE METHYLATIONS Qiagen GmbH (DE) 2008-10-08 EP disclosed
US-20040152080-A1 Method for detecting cytosine methylations QIAGEN GMBH (DE) 2004-08-05 US disclosed
EP-1325154-A2 METHOD FOR THE DETECTION OF CYTOSINE METHYLATIONS Epigenomics AG (DE) 2003-07-09 EP disclosed
EP-1294945-A2 METHOD FOR DETECTING CYTOSINE METHYLATIONS Epigenomics AG (DE) 2003-03-26 EP disclosed
WO-2002031186-A2 METHOD FOR THE DETECTION OF CYTOSINE METHYLATIONS EPIGENOMICS AG (DE) 2002-04-18 WO disclosed
WO-2001098528-A2 METHOD FOR DETECTING CYTOSINE METHYLATIONS EPIGENOMICS AG (DE) 2001-12-27 WO disclosed