SCHEMBL458029

SCHEMBL458029

COc1cc(OC)c(-c2c(OC)cc(OC)cc2P(c2ccc(C)cc2)c2ccc(C)cc2)c(P(c2ccc(C)cc2)c2ccc(C)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
CYP3A4 P08684 5/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 3/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
AR P10275 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
AHR P35869 1/20 0.36
RAB9A P51151 1/20 0.36
ELANE P08246 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL10073368 0.90 CA12 (0.44) CYP3A4ALDH1A1CYP1A2CYP2D6CA12
SCHEMBL458412 0.86 ALDH1A1 (0.41) ACHECYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL30017862 0.86 ALDH1A1 (0.41) ACHECYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL30018007 0.86 ALDH1A1 (0.41) ACHECYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL458496 0.85 LMNA (0.40) CYP3A4ALDH1A1CYP1A2CYP2D6CA12
SCHEMBL10073379 0.84 LMNA (0.36) ACHECYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL470717 0.79 PTGS2 (0.40) CYP3A4ALDH1A1CYP1A2CYP2D6CA12
SCHEMBL457923 0.79 CYP1A2 (0.38) ACHECYP3A4ALDH1A1CYP1A2CA12
SCHEMBL29536408 0.79 CYP1A2 (0.38) ACHECYP3A4ALDH1A1CYP1A2CA12
SCHEMBL15121089 0.78 CA12 (0.34) CYP3A4ALDH1A1CYP1A2CA12CA1

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
WO-2016029216-A2 METHOD FOR PRODUCING AMIDINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2016-02-25 WO 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
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 ACHE 352/4885CYP3A4 121/4885ALDH1A1 1187/4885

“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.