SCHEMBL13057735

SCHEMBL13057735

COOCC(C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CA14 Q9ULX7 3/20 0.37
▸ CA12 O43570 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ESRRB O95718 1/20 0.33
▸ TSHR P16473 4/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ ZDHHC7 Q9NXF8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 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
SCHEMBL10125303 0.80 — —
SCHEMBL445678 0.80 — —
SCHEMBL14680929 0.80 — —
SCHEMBL15910174 0.80 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12HSD17B10ALDH1A1
SCHEMBL765886 0.77 — —
SCHEMBL295130 0.77 — —
SCHEMBL86348 0.77 — —
SCHEMBL445988 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12HSD17B10ALDH1A1
SCHEMBL3892276 0.76 — —
SCHEMBL12135807 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674125-B2 Method for the preparation of phosphine butadiene ligands, complexes thereof with copper and use thereof in catalysis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-03-18 — — US disclosed
US-20130165667-A1 METHOD FOR THE PREPARATION OF PHOSPHINE BUTADIENE LIGANDS, COMPLEXES THEREOF WITH COPPER AND USE THEREOF IN CATALYSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2013-06-27 — — US disclosed
US-20110306782-A1 New Catalytic System for Cross-Coupling Reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2011-12-15 — — US disclosed
US-20100298569-A1 USE OF CYCLOVINYL PHOSPHINE/COPPER COMPLEXES AS ARYLATION CATALYSTS CENTRE NATIONAL DE RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 — — US disclosed
US-7202367-B2 Process for arylating or vinylating or alkynating a nucleophilic compound RHODIA CHIMIE (FR) 2007-04-10 — — US 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-20130165667-A1 METHOD FOR THE PREPARATION OF PHOSPHINE BUTADIENE LIGANDS, COMPLEXES THEREOF WITH COPPER AND USE THEREOF IN CATALYSIS BCHE, DOHH, AOC1 SMN1; SMN2 3899/4885CA14 693/4885CA12 635/4885
US-20100298569-A1 USE OF CYCLOVINYL PHOSPHINE/COPPER COMPLEXES AS ARYLATION CATALYSTS CPNE4, CBR3, DDT SMN1; SMN2 4303/4885CA14 1478/4885CA12 961/4885
US-20110306782-A1 New Catalytic System for Cross-Coupling Reactions FECH, HCCS, CTRC SMN1; SMN2 4792/4885CA14 120/4885CA12 64/4885

“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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