SCHEMBL6053354

SCHEMBL6053354

O=C(Nc1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KCNJ11 Q14654 1/20 0.41
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL6053505 0.87 NPSR1 (0.45) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL6053640 0.86 KMT2A (0.43) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL132989 0.82 WDR5 (0.44) TSHRMAPK1POLBMAPTTDP1
SCHEMBL29382484 0.82 WDR5 (0.44) TSHRMAPK1POLBMAPTTDP1
SCHEMBL29512053 0.80 NPC1 (0.60) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL30237970 0.79 MEN1 (0.60) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL6053720 0.77 KEAP1 (0.49) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7025867 0.76 KMT2A (0.42) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL28582487 0.75 NPC1 (0.57) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL28554239 0.75 ADORA3 (0.59) NPC1RAB9ACYP1A2CYP3A4CYP2D6

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 NPC1 652/4885RAB9A 826/4885CYP1A2 1736/4885

“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.

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