SCHEMBL19810170

SCHEMBL19810170

C/C=C/C=C\CCOC(=O)C/C=C\CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.37
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
CNR2 P34972 10/20 0.33
CNR1 P21554 8/20 0.33
PPARG P37231 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PPARD Q03181 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SOAT1 P35610 1/20 0.33
TRPA1 O75762 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
OXER1 Q8TDS5 2/20 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
SCHEMBL19810169 1.00 PPARA (0.37) PPARANR1I2PGRADORA3PTGS2
SCHEMBL19810168 1.00 PPARA (0.37) PPARANR1I2PGRADORA3PTGS2
SCHEMBL19810171 1.00 PPARA (0.37) PPARANR1I2PGRADORA3PTGS2
SCHEMBL19973827 0.86 ADORA3 (0.44) PPARANR1I2PGRADORA3PTGS2
SCHEMBL15649523 0.86 ADORA3 (0.44) PPARANR1I2PGRADORA3PTGS2
SCHEMBL890953 0.86 ADORA3 (0.44) PPARANR1I2PGRADORA3PTGS2
SCHEMBL890952 0.86 ADORA3 (0.44) PPARANR1I2PGRADORA3PTGS2
SCHEMBL18603985 0.86 ADORA3 (0.44) PPARANR1I2PGRADORA3PTGS2
SCHEMBL29598992 0.86 ADORA3 (0.44) PPARANR1I2PGRADORA3PTGS2
SCHEMBL19810161 0.82 NAAA (0.42) PPARACNR2CNR1PPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490389-B1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS BEDOUKIAN RES INC (US) 2024-09-25 EP claimed
EP-3490389-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS Bedoukian Research, Inc. (US) 2019-06-05 EP claimed
WO-2018022580-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS BEDOUKIAN RESEARCH, INC. (US) 2018-02-01 WO claimed
US-20180027845-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS BEDOUKIAN RESEARCH, INC. (US) 2018-02-01 US claimed
EP-3490389-B1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS BEDOUKIAN RES INC (US) 2024-09-25 EP disclosed
US-10863758-B2 Fragrance and flavor compositions containing isomeric alkadienyl esters BEDOUKIAN RESEARCH, INC. (US) 2020-12-15 US disclosed
EP-3490389-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS Bedoukian Research, Inc. (US) 2019-06-05 EP disclosed
WO-2018022580-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS BEDOUKIAN RESEARCH, INC. (US) 2018-02-01 WO disclosed
US-20180027845-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS BEDOUKIAN RESEARCH, INC. (US) 2018-02-01 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 (2 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-20180027845-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS FADS2, FADS1, DHCR24 PPARA 215/4885NR1I2 609/4885PGR 1890/4885
US-10863758-B2 Fragrance and flavor compositions containing isomeric alkadienyl esters FADS2, FADS1, DHCR24 PPARA 215/4885NR1I2 609/4885PGR 1890/4885

“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.