SCHEMBL899422

SCHEMBL899422

CCC(CC)(CC)C([O])=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
FFAR3 O14843 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL20489967 0.82 FDPS (0.33) CYP4F2CYP4A11ALDH1A1CES2CES1
SCHEMBL2345689 0.78 CYP4F2 (0.39) CYP4F2CYP4A11CES2CES1
SCHEMBL2340944 0.78 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1CES2CES1
SCHEMBL2340906 0.76 CYP4F2 (0.42) CYP4F2CYP4A11CES2CES1
SCHEMBL2348421 0.74 EPHX1 (0.46) CES2
SCHEMBL2343700 0.74 EPHX1 (0.41) CYP4F2CYP4A11CES2
SCHEMBL2350082 0.74 EPHX1 (0.46) CES2
SCHEMBL2340575 0.74 CES2 (0.45) CYP4F2CYP4A11CES2CES1
SCHEMBL2349262 0.74 CES2 (0.45) CYP4F2CYP4A11CES2CES1
SCHEMBL173322 0.71 FFAR3 (0.41) TDP1FFAR3CYP4F2CYP4A11ALDH1A1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556096-B2 Unsymmetric bisphosphite EVONIK DEGUSSA GMBH (DE) 2017-01-31 US disclosed
EP-2906572-B1 MIXTURES OF CONSTITUTIONAL ISOMERS OF BIPHOSPHITES EVONIK DEGUSSA GMBH (DE) 2016-11-23 EP disclosed
US-9499463-B2 Mixtures of constitutionally isomeric bisphosphites EVONIK DEGUSSA GMBH (DE) 2016-11-22 US disclosed
EP-2906571-B1 ASYMMETRIC BIPHOSPHITE EVONIK DEGUSSA GMBH (DE) 2016-08-24 EP disclosed
US-20150290633-A1 ASYMMETRICAL BISPHOSPHITE EVONIK DEGUSSA GMBH (DE) 2015-10-15 US disclosed
US-20150273455-A1 MIXTURES OF CONSTITUTIONALLY ISOMERIC BISPHOSPHITES EVONIK DEGUSSA GMBH (DE) 2015-10-01 US disclosed
EP-2906571-A1 ASYMMETRICAL BISPHOSPHITE Evonik Degussa GmbH (DE) 2015-08-19 EP disclosed
EP-2906572-A1 MIXTURE OF CONSTITUTIONAL ISOMER BISPHOSPHITES Evonik Degussa GmbH (DE) 2015-08-19 EP disclosed
US-9018420-B2 Use of supported ionic liquid phase (SILP) catalyst systems in the hydroformylation of olefin-containing mixtures to aldehyde mixtures with a high content of aldehydes unbranched in the 2 position EVONIK OXENO GMBH (DE) 2015-04-28 US disclosed
EP-1924357-B1 CARBONYLATION METHOD BY ADDING SECONDARY STERICALLY HINDERED AMINES EVONIK DEGUSSA GMBH (DE) 2015-03-18 EP disclosed
US-20060100453-A1 Novel phosoxophite legands and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2006-05-11 US disclosed
US-20060058557-A1 Bis-chelating ligand and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2006-03-16 US disclosed
EP-1485392-B1 BISPHOSPHITE LIGANDS FOR CARBONYLATION PROCESSES UNION CARBIDE CHEM PLASTIC (US) 2006-03-15 EP disclosed
EP-1554293-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-07-20 EP disclosed
WO-2005063781-A1 METHOD FOR PRODUCING ORGANOACYLPHOSPHITES OXENO OLEFINCHEMIE GMBH (DE) 2005-07-14 WO disclosed
WO-2005063776-A1 METHOD FOR PRODUCING TRIVALENT ORGANOPHOSPHORUS COMPOUNDS OXENO OLEFINCHEMIE GMBH (DE) 2005-07-14 WO disclosed
EP-1485392-A2 BISPHOSPHITE LIGANDS FOR CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-12-15 EP disclosed
WO-2004035595-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-04-29 WO disclosed
WO-2003078444-A2 BISPHOSPHITE LIGANDS FOR CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2003-09-25 WO disclosed
US-4642363-A Method of preparing trialkyl organo-oxysilanes DYNAMIT NOBEL AG (DE) 1987-02-10 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 (4 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-20060100453-A1 Novel phosoxophite legands and use thereof in carbonylation processes PGLS, PRDX4, PFAS TDP1 2853/4885FFAR3 4320/4885CYP4F2 162/4885
US-20150273455-A1 MIXTURES OF CONSTITUTIONALLY ISOMERIC BISPHOSPHITES FBP1, PFKFB1, PFKFB2 TDP1 3651/4885FFAR3 2749/4885CYP4F2 18/4885
US-20150290633-A1 ASYMMETRICAL BISPHOSPHITE BPGM, PFKFB1, PFKFB4 TDP1 2851/4885FFAR3 1639/4885CYP4F2 113/4885
US-20060058557-A1 Bis-chelating ligand and use thereof in carbonylation processes CBR1, CBR3, AR TDP1 4663/4885FFAR3 1318/4885CYP4F2 215/4885

“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.