SCHEMBL459755

SCHEMBL459755

CCOP(=O)(OCC)c1cc(OC)cc(OC)c1Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CRHR1 P34998 1/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL457840 0.84 CYP3A4 (0.42) POLBL3MBTL1MEN1KMT2AGAA
SCHEMBL6512161 0.78 L3MBTL1 (0.46) POLBL3MBTL1GAAMAPTALDH1A1
SCHEMBL10723623 0.78 CA12 (0.46) POLBMEN1KMT2AGAAMAPT
SCHEMBL3699457 0.76 CCNT1 (0.36) L3MBTL1MAPTCYP3A4ALDH1A1CYP1A2
SCHEMBL17263482 0.75 CYP1A2 (0.35) POLBL3MBTL1MEN1KMT2AGAA
SCHEMBL10044606 0.74 CYP1A2 (0.44) CYP3A4ALDH1A1CYP1A2CRHR1MAOB
SCHEMBL458031 0.74 KMT2A (0.48) POLBL3MBTL1MEN1KMT2AMAPT
SCHEMBL15121085 0.73 ALDH1A1 (0.33) POLBL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL1203850 0.71 ALDH1A1 (0.53) POLBL3MBTL1MAOAMAPTCYP3A4
SCHEMBL459993 0.71 MAOB (0.38) POLBMAOAMEN1KMT2AGAA

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 9 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
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

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 POLB 99/4885L3MBTL1 3884/4885MAOA 248/4885

“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.