SCHEMBL6053363

SCHEMBL6053363

CCOC(C)OCC(=O)Cl

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 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
SCHEMBL8958365 0.85 LMNA (0.67) LMNATSHRTHRBALDH1A1TP53
SCHEMBL9557330 0.83 LMNA (0.63) LMNATSHRTHRBALDH1A1
SCHEMBL947037 0.79
SCHEMBL7762904 0.79 LMNA (0.57) LMNATHRBALDH1A1
SCHEMBL3363687 0.79 LMNA (0.57) LMNATSHRTHRBALDH1A1
Bicarbonate SCHEMBL28942687 0.78 LMNA (0.71) LMNATHRBALDH1A1TP53
Acetone SCHEMBL590699 0.78 LMNA (0.71) LMNATSHRTHRBALDH1A1
Bicarbonate SCHEMBL5374586 0.78 LMNA (0.71) LMNATHRBALDH1A1TP53
Bicarbonate SCHEMBL28895866 0.78 LMNA (0.71) LMNATHRBALDH1A1TP53
SCHEMBL5243851 0.77 LMNA (0.55) LMNATHRBALDH1A1

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
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 (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-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 LMNA 4716/4885TSHR 1975/4885THRB 2705/4885

“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.