SCHEMBL10073368

SCHEMBL10073368

COc1ccc(P(c2ccc(OC)cc2)c2cc(OC)cc(OC)c2-c2c(OC)cc(OC)cc2P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CYP1A2 P05177 7/20 0.41
CYP3A4 P08684 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A1 P04798 5/20 0.40
CYP1B1 Q16678 5/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2E1 P05181 2/20 0.40
CYP2C8 P10632 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2A6 P11509 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP4B1 P13584 2/20 0.40
CYP2B6 P20813 2/20 0.40
CYP3A5 P20815 2/20 0.40

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
SCHEMBL458029 0.90 ACHE (0.41) CA12CA1CA2CA7CA9
SCHEMBL470717 0.88 PTGS2 (0.40) CA12CA1CA2CA7CA9
SCHEMBL458496 0.88 LMNA (0.40) CA12CA1CA2CA7CA9
SCHEMBL458412 0.82 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL30018007 0.82 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL30017862 0.82 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL10073379 0.81 LMNA (0.36) CA12CA1CA2CA7CA9
SCHEMBL28423522 0.80 CYP1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9078434 0.79 SYK (0.42) CA12CA1CA2CA7CA9
SCHEMBL29739782 0.79 SYK (0.42) CA12CA1CA2CA7CA9

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
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
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 CA12 2447/4885CA1 3359/4885CA2 2691/4885

“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.