SCHEMBL6053373

SCHEMBL6053373

CC(=O)Nc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.41
WDR5 P61964 1/20 0.40
POLB P06746 2/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
PKM P14618 1/20 0.38
MAOA P21397 2/20 0.38
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NAPRT Q6XQN6 1/20 0.37
CASP6 P55212 1/20 0.36

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
SCHEMBL6053789 0.90 KMT2A (0.44) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL6053591 0.87 NPC1 (0.54) RXFP1ALDH1A1KDM4EHPGDMAPT
Acetic Acid SCHEMBL4438549 0.85 WDR5 (0.49) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL20436327 0.85 ALDH1A1 (0.57) RXFP1ALDH1A1KDM4EHPGDMAPT
Acetic Acid SCHEMBL29392612 0.84 WDR5 (0.47) ALDH1A1KDM4EHPGDMAPTGAA
Acetic Acid SCHEMBL28652453 0.84 WDR5 (0.47) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6053783 0.83 MAPT (0.34) ALDH1A1KDM4EHPGDMAPTWDR5
Acetic Acid SCHEMBL446685 0.83 WDR5 (0.46) ALDH1A1KDM4EHPGDMAPTGAA
Acetic Acid SCHEMBL29430099 0.83 WDR5 (0.46) ALDH1A1KDM4EHPGDMAPTGAA
Acetic Acid SCHEMBL6600591 0.83 WDR5 (0.46) ALDH1A1KDM4EHPGDMAPTGAA

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 8 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-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 RXFP1 1802/4885ALDH1A1 2223/4885KDM4E 3653/4885

“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.