SCHEMBL1874564

SCHEMBL1874564

C/C=C/C=C/CCC(O)CC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.40
CNR1 P21554 7/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
SOAT1 P35610 1/20 0.36
TRPA1 O75762 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 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
SCHEMBL1874566 1.00 CNR2 (0.40) CNR2CNR1PPARGPPARDPPARA
SCHEMBL10300852 1.00 CNR2 (0.40) CNR2CNR1PPARGPPARDPPARA
SCHEMBL7187330 0.88 TSHR (0.38) PPARGPPARDPPARAALDH1A1TSHR
SCHEMBL7187331 0.88 TSHR (0.38) PPARGPPARDPPARAALDH1A1TSHR
SCHEMBL6128466 0.83 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL8517154 0.83 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL1883670 0.81 GPR84 (0.43) CNR2CNR1PPARGPPARDPPARA
SCHEMBL10300841 0.81 CNR2 (0.39) CNR2CNR1PPARGPPARDPPARA
SCHEMBL13156318 0.81 GPR84 (0.43) CNR2CNR1PPARGPPARDPPARA
SCHEMBL1883672 0.81 GPR84 (0.43) CNR2CNR1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029593-B2 Method for manufacturing spilanthol and intermediate manufacturing product therefor TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-05-12 US disclosed
EP-2455363-B1 METHOD FOR MANUFACTURING SPILANTHOL AND INTERMEDIATE MANUFACTURING PRODUCT THEREFOR TAKASAGO PERFUMERY CO LTD (JP) 2014-10-01 EP disclosed
US-8217192-B2 Production method of (2E,6Z,8E)-N-isobutyl-2,6,8-decatrienamide (spilanthol), and food or drink, fragrance or cosmetic, or pharmaceutical comprising the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
EP-2455363-A1 METHOD FOR MANUFACTURING SPILANTHOL AND INTERMEDIATE MANUFACTURING PRODUCT THEREFOR Takasago International Corporation (JP) 2012-05-23 EP disclosed
US-20120116116-A1 METHOD FOR MANUFACTURING SPILANTHOL AND INTERMEDIATE MANUFACTURING PRODUCT THEREFOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-10 US disclosed
US-20110105773-A1 PRODUCTION METHOD OF (2E,6Z,8E)-N-ISOBUTYL-2,6,8-DECATRIENAMIDE (SPILANTHOL), AND FOOD OR DRINK, FRAGRANCE OR COSMETIC, OR PHARMACEUTICAL COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-05 US disclosed
EP-2236489-A1 METHOD FOR PRODUCTION OF (2E,6Z,8E)-N-ISOBUTYL-2,6,8-DECATRIENAMIDE (SPILANTHOL), AND FOODS, BEVERAGES, COSMETICS AND PHARMACEUTICAL PREPARATIONS EACH COMPRISING THE COMPOUND Takasago International Corporation (JP) 2010-10-06 EP 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-20110105773-A1 PRODUCTION METHOD OF (2E,6Z,8E)-N-ISOBUTYL-2,6,8-DECATRIENAMIDE (SPILANTHOL), AND FOOD OR DRINK, FRAGRANCE OR COSMETIC, OR PHARMACEUTICAL COMPRISING THE SAME NISCH, FAAH2, ADH5 CNR2 7/4885CNR1 43/4885PPARG 351/4885
US-20120116116-A1 METHOD FOR MANUFACTURING SPILANTHOL AND INTERMEDIATE MANUFACTURING PRODUCT THEREFOR CYP4A11, CYP4F8, CYP51A1 CNR2 522/4885CNR1 363/4885PPARG 374/4885

“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.