SCHEMBL6432189

SCHEMBL6432189

CC(C)=CCCC1(C)CC(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.35
PTGS1 P23219 1/20 0.35
PPARG P37231 1/20 0.34
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33
TRPA1 O75762 1/20 0.32
LDHA P00338 1/20 0.32
CNR1 P21554 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CNR2 P34972 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
TRPV2 Q9Y5S1 1/20 0.32
CTSK P43235 1/20 0.31
APP P05067 1/20 0.31
PDE4D Q08499 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
SCHEMBL7744116 0.81 ALOX5 (0.39) ALOX5PPARG
SCHEMBL7129843 0.81 ALOX5 (0.39) ALOX5PPARG
SCHEMBL7129846 0.81 ALOX5 (0.39) ALOX5PPARG
SCHEMBL9579444 0.76 KMT2A (0.36) ALOX5PTGS1CNR2MEN1KMT2A
Formaldehyde SCHEMBL28653660 0.75 TSHR (0.33) ALOX5PTGS1MEN1KMT2A
SCHEMBL7666454 0.74 PTPN1 (0.34) PTPN1
Methyl Alcohol SCHEMBL28366343 0.74 KMT2A (0.34) ALOX5PTGS1CNR2MEN1KMT2A
SCHEMBL21961910 0.71
SCHEMBL9303654 0.71 AKT1 (0.65) ALOX5PTGS1CTSKAPP
Alcohol SCHEMBL28586780 0.71 ALOX15 (0.34) ALOX5PTGS1TRPA1LDHACNR1

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-1109798-B1 GERANIC ACID DERIVATIVES FIRMENICH & CIE (CH) 2005-10-12 EP claimed
US-6384242-B1 4-METHYL-4-(4-METHYLPENT-3-EN-1-YL)-2-OXETANONE; ITS SYNTHESIS FROM 6-METHYL-5-HEPTEN-2-ONE AND KETENE; INTERMEDIATE FOR 3-HYDROXYCITRONELLIC ESTERS AND 2,6-DIMETHYLHEPTADIENE/1,5-/ UPON PYROLYSIS FIRMENICH SA (CH) 2002-05-07 US claimed
EP-1109798-A1 GERANIC ACID DERIVATIVES FIRMENICH SA (CH) 2001-06-27 EP claimed
WO-2000014080-A1 GERANIC ACID DERIVATIVES FIRMENICH S.A. (CH) 2000-03-16 WO claimed
EP-1109798-B1 GERANIC ACID DERIVATIVES FIRMENICH & CIE (CH) 2005-10-12 EP disclosed
EP-1109798-B1 GERANIC ACID DERIVATIVES FIRMENICH & CIE (CH) 2005-10-12 EP disclosed
US-6384242-B1 4-METHYL-4-(4-METHYLPENT-3-EN-1-YL)-2-OXETANONE; ITS SYNTHESIS FROM 6-METHYL-5-HEPTEN-2-ONE AND KETENE; INTERMEDIATE FOR 3-HYDROXYCITRONELLIC ESTERS AND 2,6-DIMETHYLHEPTADIENE/1,5-/ UPON PYROLYSIS FIRMENICH SA (CH) 2002-05-07 US disclosed
US-6384242-B1 4-METHYL-4-(4-METHYLPENT-3-EN-1-YL)-2-OXETANONE; ITS SYNTHESIS FROM 6-METHYL-5-HEPTEN-2-ONE AND KETENE; INTERMEDIATE FOR 3-HYDROXYCITRONELLIC ESTERS AND 2,6-DIMETHYLHEPTADIENE/1,5-/ UPON PYROLYSIS FIRMENICH SA (CH) 2002-05-07 US disclosed
EP-1109798-A1 GERANIC ACID DERIVATIVES FIRMENICH SA (CH) 2001-06-27 EP disclosed
EP-1109798-A1 GERANIC ACID DERIVATIVES FIRMENICH SA (CH) 2001-06-27 EP disclosed
WO-2000014080-A1 GERANIC ACID DERIVATIVES FIRMENICH S.A. (CH) 2000-03-16 WO disclosed
WO-2000014080-A1 GERANIC ACID DERIVATIVES FIRMENICH S.A. (CH) 2000-03-16 WO disclosed