SCHEMBL10079563

SCHEMBL10079563

COc1c(C)ccc2c1oc(=O)c1cc3c(cc12)c(=O)oc1c(OC)c(C)ccc13

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
ESR2 Q92731 7/20 0.48
ESR1 P03372 5/20 0.48
MAOA P21397 3/20 0.48
HSD17B10 Q99714 1/20 0.47
MAPT P10636 3/20 0.45
APEX1 P27695 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL15165959 0.89 KDM4E (0.49) KDM4EALDH1A1ESR2ESR1MAOA
SCHEMBL9367289 0.79 ALDH1A1 (0.67) KDM4EALDH1A1ESR2ESR1MAOA
SCHEMBL25878375 0.75 KDM4E (0.45) KDM4EALDH1A1ESR2ESR1MAOA
SCHEMBL10079564 0.74 ALDH1A1 (0.67) KDM4EALDH1A1ESR2ESR1MAOA
SCHEMBL25878380 0.73 MAOA (0.41) KDM4EALDH1A1MAOAHSD17B10MAPT
SCHEMBL25878382 0.72 MAOA (0.40) KDM4EALDH1A1ESR2ESR1MAOA
SCHEMBL13924666 0.71 MAOA (0.55) KDM4EALDH1A1ESR2ESR1MAOA
SCHEMBL25878384 0.70 MAOA (0.38) KDM4EALDH1A1ESR2ESR1MAOA
SCHEMBL13924670 0.70 MAOA (0.53) KDM4EALDH1A1MAOAHSD17B10MAPT
SCHEMBL13924676 0.70 MAOA (0.53) KDM4EALDH1A1MAOAHSD17B10MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9385337-B2 Nanocrystals on fibers MERCK PATENT GMBH (DE) 2016-07-05 US disclosed
US-9093656-B2 Quantum dots and hosts MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-9093656-B2 Quantum dots and hosts MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-20150037203-A1 NANOCRYSTALS ON FIBERS MERCK PATENT GMBH (DE) 2015-02-05 US disclosed
US-20130214249-A1 QUANTUM DOTS AND HOSTS MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20130214249-A1 QUANTUM DOTS AND HOSTS MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
WO-2012013272-A1 QUANTUM DOTS AND HOSTS MERCK PATENT GMBH (DE) 2012-02-02 WO disclosed