SCHEMBL2858481

SCHEMBL2858481

CC=C(NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
ALOX15 P16050 1/20 0.50
HDAC1 Q13547 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
GAA P10253 4/20 0.49
EPHX1 P07099 3/20 0.49

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
SCHEMBL2858479 1.00 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4659375 0.83 MTNR1A (0.46) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL1942392 0.83 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4659374 0.83 MTNR1A (0.46) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL7584602 0.83 MTNR1A (0.46) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL76489 0.79 ALDH1A1 (0.67) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL28820697 0.79 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL9750180 0.78 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL9750183 0.78 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL9750169 0.78 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318156-B1 Novel asymmetric phosphine ligand TAKASAGO PERFUMERY CO LTD (JP) 2010-01-20 EP disclosed
EP-1279660-B1 Process for producing an optically active amide from an alpha, beta-unsaturated amide derivative in the presence of an optically active transition metal complex containing a phosphine-phosphorane compound and rhodium TAKASAGO PERFUMERY CO LTD (JP) 2008-12-17 EP disclosed
EP-1318155-B1 Novel asymmetric phosphine ligand TAKASAGO PERFUMERY CO LTD (JP) 2005-03-23 EP disclosed
US-6855847-B2 Process for producing optically active amide from α β- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-02-15 US disclosed
US-6730629-B2 HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-05-04 US disclosed
US-6624320-B2 Phosphorane compound hydrogenation catalyts; stereospecific; catalyst selectivity TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-09-23 US disclosed
US-20030144138-A1 NOVEL ASYMMETRIC PHOSPHINE LIGAND TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-07-31 US disclosed
US-20030139285-A1 Novel asymmetric phosphine ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-07-24 US disclosed
US-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal TAKASAGO INTERNATIONAL CORPORATION 2003-06-26 US disclosed
EP-1318156-A1 Novel asymmetric phosphine ligand Takasago International Corporation (JP) 2003-06-11 EP disclosed
EP-1318155-A1 Novel asymmetric phosphine ligand Takasago International Corporation (JP) 2003-06-11 EP disclosed
EP-1279660-A1 Process for producing an optically active amide from an alpha, beta-unsaturated amide derivative in the presence of a transition metal complex containing a phosphine-phosphorane compound and a transition metal Takasago International Corporation (JP) 2003-01-29 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 (3 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-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal PHOSPHO1, NAAA, DEGS1 ALDH1A1 1510/4885NPC1 3840/4885RAB9A 1220/4885
US-20030144138-A1 NOVEL ASYMMETRIC PHOSPHINE LIGAND PHOSPHO1, PLCG2, PLCB3 ALDH1A1 2360/4885NPC1 4581/4885RAB9A 641/4885
US-20030139285-A1 Novel asymmetric phosphine ligand PHOSPHO1, PAPSS1, PPM1F ALDH1A1 2528/4885NPC1 3780/4885RAB9A 1137/4885

“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.