SCHEMBL3705368

SCHEMBL3705368

Cc1ccc(C)c2c1C(=O)C(O)=C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PTPN1 P18031 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ TYR P14679 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGS1 P23219 5/20 0.42
▸ PTGS2 P35354 3/20 0.41
▸ GABBR2 O75899 1/20 0.38
▸ GABBR1 Q9UBS5 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL3698561 0.84 TDP2 (0.44) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL3699478 0.84 PTPN1 (0.51) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL3695064 0.84 PTPN1 (0.51) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL3689674 0.84 TDP2 (0.44) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL3700187 0.82 CA2 (0.43) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL3694663 0.80 CA2 (0.46) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL3696268 0.80 CA2 (0.46) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL3688310 0.79 CA2 (0.50) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL3692504 0.76 TDP2 (0.39) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL3695040 0.76 PTPN1 (0.62) CA2CA1CYP1A2CYP2C9CYP2C19

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 22 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
WO-2002031186-A2 METHOD FOR THE DETECTION OF CYTOSINE METHYLATIONS EPIGENOMICS AG (DE) 2002-04-18 — — 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-20070207472-A1 Method for detecting cytosine methylations QIAGEN GMBH (DE) 2007-09-06 — — US disclosed
US-7118868-B2 Method for detecting cytosine methylations EPIGENOMICS AG (DE) 2006-10-10 — — US disclosed
EP-1707642-A2 Method for detecting cytosine methylations Epigenomics AG (DE) 2006-10-04 — — EP disclosed
EP-1294945-B1 METHOD FOR DETECTING CYTOSINE METHYLATIONS EPIGENOMICS AG (DE) 2006-08-30 — — EP disclosed
US-20040152080-A1 Method for detecting cytosine methylations QIAGEN GMBH (DE) 2004-08-05 — — US disclosed
EP-1294945-A2 METHOD FOR DETECTING CYTOSINE METHYLATIONS Epigenomics AG (DE) 2003-03-26 — — EP disclosed
WO-2001098528-A2 METHOD FOR DETECTING CYTOSINE METHYLATIONS EPIGENOMICS AG (DE) 2001-12-27 — — WO disclosed
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