SCHEMBL6053344

SCHEMBL6053344

N#Cc1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
WDR5 P61964 1/20 0.35
MCL1 Q07820 1/20 0.32
KCNA5 P22460 1/20 0.32
AR P10275 1/20 0.31
CES1 P23141 1/20 0.31
DNMT1 P26358 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL132989 0.86 WDR5 (0.44) CA2ALDH1A1KDM4EWDR5CES1
SCHEMBL29382484 0.86 WDR5 (0.44) CA2ALDH1A1KDM4EWDR5CES1
SCHEMBL14596131 0.79 CA1 (0.39) SLC22A12CA1CA2ALDH1A1KDM4E
SCHEMBL13948301 0.79 CA1 (0.53) SLC22A12CA1CA2ALDH1A1KDM4E
SCHEMBL4403131 0.78 MAPT (0.43) ALDH1A1KDM4EWDR5POLBHPGD
SCHEMBL12336891 0.78 MAPT (0.43) ALDH1A1KDM4EWDR5POLBHPGD
SCHEMBL6053369 0.78 WDR5 (0.38) ALDH1A1KDM4EHSP90AA1HSP90AB1WDR5
SCHEMBL7025867 0.78 KMT2A (0.42) ALDH1A1KDM4EHSP90AA1HSP90AB1WDR5
SCHEMBL19884356 0.78 WDR5 (0.38) ALDH1A1KDM4EWDR5CES1DNMT1
SCHEMBL11991070 0.78 WDR5 (0.38) ALDH1A1WDR5CES1DNMT1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910744-B2 Pyrazole and Pyrimidine groups are introduced on aromatic phosphine; (3-bromophenyl)methyl ketone and ethylene glycol cyclize to [3-(2-methyl-1,3-dioxolane-2-yl)phenyl]diphenylphosphane; adding hydrazine monohydrate, then oxidizing with hydrogen peroxide; [3-(3-Pyrazolyl)phenyl]diphenylphosphane oxide ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENT II KG (DE) 2011-03-22 US disclosed
US-20080221335-A1 Method for the Manufacture of Substituted Phosphanes, and Substituted Phosphanes Manufactured According to Said Method ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2008-09-11 US disclosed
EP-1469004-B1 Method for preparing aminophosphines and aminophosphine oxides, intermediates therefor TAKASAGO PERFUMERY CO LTD (JP) 2006-06-14 EP disclosed
EP-1013658-B1 Aminophosphine-metal complex for asymmetric reactions TAKASAGO PERFUMERY CO LTD (JP) 2004-11-03 EP disclosed
EP-1469004-A1 Method for preparing aminophosphines and aminophosphine oxides, intermediates therefor Takasago International Corporation (JP) 2004-10-20 EP disclosed
US-6515156-B2 Stereoselective, efficient catalyst for synthesis of enantiomerically pure compounds; comprising compex of transition metal and aminophosphine ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-02-04 US disclosed
US-6388130-B2 ALKALINE HYDROGEN PEROXIDE TO OXIDIZE 2-CYANO-2'-DIARYL PHOSPHINYL-1,1'-BINAPHTHYL TO OBTAIN A 2-AMIDO DERIVATIVE, REACTED WITH A METAL ALKOXIDE AND BROMINE IN AN ALCOHOL TO A 2-SEC-AMINO DERIVATIVE; TRANSITION METAL COMPLEX CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-14 US disclosed
US-20010047110-A1 Method for producing axial asymmetric compounds, intermediates for producing the same, complexes of transition metals with novel axial asymmetric compounds as the ligands, catalysts for asymmetric hydrogenation, and catalysts for forming asymmetric carbon-carbon bonds TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-29 US disclosed
US-6323353-B1 USED AS CATALYST FOR ASYMMETRIC HYDROGENATION OR CARBON-CARBON BOND TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-27 US disclosed
US-20010037033-A1 Method for producing axial asymmetric compounds, intermediates for producing the same, complexes of transition metals with novel axial asymmetric compounds as the ligands, catalysts for asymmetric hydrogenation, and catalysts for forming asymmetric carbon-carbon bonds TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-01 US disclosed
EP-1013658-A1 Aminophosphine-metal complex for asymmetric reactions Takasago International Corporation (JP) 2000-06-28 EP 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 (2 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-20010047110-A1 Method for producing axial asymmetric compounds, intermediates for producing the same, complexes of transition metals with novel axial asymmetric compounds as the ligands, catalysts for asymmetric hydrogenation, and catalysts for forming asymmetric carbon-carbon bonds CORO1C, AP3M1, ARL1 SLC22A12 4466/4885CA1 450/4885CA2 670/4885
US-20080221335-A1 Method for the Manufacture of Substituted Phosphanes, and Substituted Phosphanes Manufactured According to Said Method SCLY, SELENOI, TST SLC22A12 1769/4885CA1 443/4885CA2 1392/4885

“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.