SCHEMBL459400

SCHEMBL459400

CCOP(=O)(OCC)c1cc(OC)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 3/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 3/20 0.39
ESR1 P03372 2/20 0.36
AHR P35869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL914637 0.82 NPSR1 (0.56) ALDH1A1NPSR1SMN1; SMN2KMT2APOLB
SCHEMBL7616788 0.82 NPSR1 (0.56) ALDH1A1NPSR1KMT2AGAAMEN1
SCHEMBL1306136 0.80 MMP9 (0.46) ALDH1A1KMT2APOLBGAAMEN1
SCHEMBL6517406 0.77 L3MBTL1 (0.55) ALDH1A1KMT2AGAAMEN1KDM4E
SCHEMBL2534198 0.75 TSHR (0.40) ALDH1A1NPSR1SMN1; SMN2KMT2APOLB
SCHEMBL4148573 0.73 POLB (0.39) ALDH1A1NPSR1KMT2APOLBGAA
SCHEMBL12229694 0.73 TDP1 (0.39) ALDH1A1NPSR1KMT2APOLBMEN1
SCHEMBL6829825 0.73 TDP1 (0.49) NPSR1KMT2APOLBMEN1TSHR
SCHEMBL1486664 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KMT2APOLBGAA
SCHEMBL457840 0.73 CYP3A4 (0.42) ALDH1A1SMN1; SMN2KMT2APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103189383-B Biaryl diphosphine ligand, its intermediate and the purposes in asymmetry catalysis thereof KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2016-11-30 CN disclosed
US-9062085-B2 Biaryl diphosphine ligands, intermediates of the same and their use in asymmetric catalysis KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2015-06-23 US disclosed
US-9062085-B2 Biaryl diphosphine ligands, intermediates of the same and their use in asymmetric catalysis KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2015-06-23 US disclosed
US-9062085-B2 Biaryl diphosphine ligands, intermediates of the same and their use in asymmetric catalysis KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2015-06-23 US disclosed
US-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-07-18 US disclosed
US-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-07-18 US disclosed
US-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-07-18 US disclosed
EP-2614069-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS Kanata Chemical Technologies Inc. (CA) 2013-07-17 EP disclosed
CN-103189383-A Biaryl diphosphine ligands, intermediates of the same and their use in asymmetric catalysis KANATA CHEMICAL TECHNOLOGIES INC 2013-07-03 CN disclosed
WO-2012031358-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-15 WO disclosed
WO-2006029436-A1 COX-II INHIBITOR COMPOUNDS Universität Wien (AT) 2006-03-23 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-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS AGPS, COASY, BLVRB ALDH1A1 1187/4885NPSR1 3327/4885SMN1; SMN2 4817/4885

“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.