SCHEMBL459816

SCHEMBL459816

COc1cc(OC)c(-c2c(OC)cc(OC)cc2P(=O)(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
NQO2 P16083 1/20 0.30

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
SCHEMBL458326 0.88 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4NQO2
SCHEMBL29536408 0.85 CYP1A2 (0.38) ALDH1A1CYP1A2CYP3A4NQO2
SCHEMBL457923 0.85 CYP1A2 (0.38) ALDH1A1CYP1A2CYP3A4NQO2
SCHEMBL458094 0.83
SCHEMBL15121106 0.81 LMNA (0.35) ALDH1A1CYP1A2CYP3A4NQO2
SCHEMBL10073381 0.79 PTGS2 (0.42) ALDH1A1CYP1A2CYP3A4NQO2
SCHEMBL15121089 0.78 CA12 (0.34) ALDH1A1CYP1A2CYP3A4NQO2
SCHEMBL459987 0.75 MAOB (0.34) ALDH1A1CYP1A2CYP3A4NQO2
SCHEMBL458557 0.74 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4NQO2
SCHEMBL30018007 0.72 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 1187/4885CYP1A2 57/4885CYP3A4 121/4885

“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.