SCHEMBL458031

SCHEMBL458031

COc1cc(OC)c(Br)c(P(=O)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MAPT P10636 3/20 0.46
MEN1 O00255 6/20 0.39
HTT P42858 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
PTPN1 P18031 1/20 0.36
MAOB P27338 1/20 0.35
PKM P14618 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 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
SCHEMBL458609 0.84 KMT2A (0.50) KMT2AMAPTMEN1HTTL3MBTL1
SCHEMBL459993 0.82 MAOB (0.38) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL6130221 0.80 KMT2A (0.62) KMT2AMAPTMEN1HTTL3MBTL1
SCHEMBL459987 0.79 MAOB (0.34) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL23494962 0.79 KMT2A (0.47) KMT2AMAPTMEN1HTTL3MBTL1
SCHEMBL470696 0.78 KMT2A (0.45) KMT2AMAPTMEN1HTTL3MBTL1
SCHEMBL14754995 0.77 KMT2A (0.62) KMT2AMAPTMEN1HTTL3MBTL1
SCHEMBL459659 0.76 CA1 (0.34) ALDH1A1MAOBCYP1A2
SCHEMBL459755 0.74 POLB (0.38) KMT2AMAPTMEN1L3MBTL1SMN1; SMN2
SCHEMBL14337940 0.73 KMT2A (0.43) KMT2AMAPTMEN1HTTL3MBTL1

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 10 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

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 KMT2A 2699/4885MAPT 4543/4885MEN1 2766/4885

“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.