Octanoic Acid

Octanoic Acid

SCHEMBL3278399

CCCCCCCC(=O)O.[Os]

nearest known ligand 0.94

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.94
PPARG P37231 7/20 0.94
PPARD Q03181 7/20 0.94
PPARA Q07869 7/20 0.94
HDAC11 Q96DB2 5/20 0.94
TSHR P16473 4/20 0.94
PTPN1 P18031 3/20 0.94
FABP4 P15090 3/20 0.94
ALDH1A1 P00352 2/20 0.94
TLR2 O60603 2/20 0.94
TDP1 Q9NUW8 2/20 0.94
KMT2A Q03164 2/20 0.94
ALOX15 P16050 2/20 0.94
HSD17B10 Q99714 2/20 0.94
SLC22A6 Q4U2R8 1/20 0.94
SLC22A8 Q8TCC7 1/20 0.94
MEN1 O00255 1/20 0.94
ESR1 P03372 1/20 0.94
PDE4A P27815 1/20 0.94
PDE3A Q14432 1/20 0.94

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
Lignoceric Acid SCHEMBL25290912 0.97 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL25293218 0.97 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Dotriacontanoic Acid SCHEMBL25298401 0.97 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Hexacosanoic Acid SCHEMBL25287701 0.97 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL25291231 0.97 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL25288166 0.97 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL25281884 0.97 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL25286532 0.97 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL25287435 0.97 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Sebacic Acid SCHEMBL23781711 0.97 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696349-B2 Method for asymmetric synthesis BASF SE (DE) 2010-04-13 US disclosed
US-20090326226-A1 METHOD FOR ASYMMETRIC SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 2009-12-31 US disclosed
US-20090227801-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION BASF AKTIENGESELLSCHAFT (DE) 2009-09-10 US disclosed
US-7442842-B2 Method for asymmetric synthesis BASF SE (DE) 2008-10-28 US disclosed
US-20070073092-A1 Method for asymmetric synthesis BASF AKTIENGESELLSCHAFT (DE) 2007-03-29 US disclosed
US-7015360-B2 Asymmetric catalysts prepared from optically active bisphosphites bridged by achiral diols DOW GLOBAL TECHNOLOGIES, INC. (US) 2006-03-21 US disclosed
EP-1611145-A2 ASYMMETRIC CATALYSTS PREPARED FROM OPTICALLY ACTIVE BISPHOSPHITES BRIDGED BY ACHIRAL DIOLS DOW GLOBAL TECHNOLOGIES INC. (US) 2006-01-04 EP disclosed
WO-2004094442-A2 ASYMMETRIC CATALYSTS PREPARED FROM OPTICALLY ACTIVE BISPHOSPHITES BRIDGED BY ACHIRAL DIOLS DOW GLOBAL TECHNOLOGIES INC. (US) 2004-11-04 WO disclosed
US-20040199023-A1 Asymmetric catalysts prepared from optically active bisphosphites bridged by achiral diols DOW GLOBAL TECHNOLOGIES INC. 2004-10-07 US disclosed
EP-0766658-B1 PROCESS FOR IMPROVING ENANTIOMERIC PURITY OF ALDEHYDES UNION CARBIDE CHEM PLASTIC (US) 2002-04-10 EP disclosed
US-4769498-A RHODIUM CARBONYL POLYPHOSPHITE COMPLEX, HYDROFORMYLATION UNION CARBIDE CORPORATION (US) 1988-09-06 US disclosed
US-4748261-A HYDROFORMYLATION CATALYSTS UNION CARBIDE CORPORATION (US) 1988-05-31 US disclosed
US-4737588-A CONTAINING DIORGANOPHOSPHITE-HYDROFORMYLATION CATALYST UNION CARBIDE CORPORATION (US) 1988-04-12 US disclosed
US-4717775-A RHODIUM-DIORGANOPHOSPHITE COMPLEX CATALYZED HYDROFORMYLATION REACTIONS UNION CARBIDE CORPORATION (US) 1988-01-05 US disclosed
US-4668651-A POLYPHOSPHITE COMPLEX HYDROFORMYLATION CATALYST UNION CARBIDE CORPORATION (US) 1987-05-26 US disclosed
EP-0214622-A2 Transition metal complex catalyzed processes UNION CARBIDE CORPORATION (US) 1987-03-18 EP disclosed
EP-0213639-A2 Bis-phosphite compounds UNION CARBIDE CORPORATION (US) 1987-03-11 EP disclosed
US-4599206-A Transition metal complex catalyzed reactions UNION CARBIDE CORPORATION (US) 1986-07-08 US disclosed
EP-0155508-A1 Transition metal complex catalyzed reactions UNION CARBIDE CORPORATION (US) 1985-09-25 EP disclosed
WO-1985003702-A1 TRANSITION METAL COMPLEX CATALYZED REACTIONS UNION CARBIDE CORPORATION (US) 1985-08-29 WO 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-20070073092-A1 Method for asymmetric synthesis COASY, PIN1, INF2 GPR84 4621/4885PPARG 4003/4885PPARD 3844/4885
US-20040199023-A1 Asymmetric catalysts prepared from optically active bisphosphites bridged by achiral diols ALDH3A1, APEH, DPYD GPR84 1721/4885PPARG 2163/4885PPARD 2342/4885
US-20090227801-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION PFKFB3, PHPT1, PFKFB4 GPR84 1064/4885PPARG 2392/4885PPARD 1357/4885
US-20090326226-A1 METHOD FOR ASYMMETRIC SYNTHESIS COASY, PIN1, INF2 GPR84 4621/4885PPARG 4003/4885PPARD 3844/4885

“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.