SCHEMBL6125309

SCHEMBL6125309

CC=CC=CCCC(=O)OC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.39
CNR1 P21554 7/20 0.39
TRPA1 O75762 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SOAT1 P35610 1/20 0.36
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34

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
SCHEMBL10300851 1.00 CNR2 (0.39) CNR2CNR1TRPA1TRPV1SOAT1
SCHEMBL10300839 0.80 SOAT1 (0.42) CNR2CNR1TRPA1TRPV1SOAT1
SCHEMBL4888294 0.76 TSHR (0.48) CNR2CNR1TRPA1TRPV1SOAT1
SCHEMBL4888284 0.76 TSHR (0.48) CNR2CNR1TRPA1TRPV1SOAT1
SCHEMBL11029452 0.76 CNR2 (0.44) CNR2CNR1TRPA1TRPV1SOAT1
SCHEMBL11029451 0.76 CNR2 (0.44) CNR2CNR1TRPA1TRPV1SOAT1
SCHEMBL2683632 0.73 NR1I2 (0.46) CNR2CNR1TRPA1TRPV1SOAT1
SCHEMBL10300850 0.73 NR1I2 (0.46) CNR2CNR1TRPA1TRPV1SOAT1
SCHEMBL2683633 0.73 NR1I2 (0.46) CNR2CNR1TRPA1TRPV1SOAT1
SCHEMBL18126434 0.71 TSHR (0.40)

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 4 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
US-9029593-B2 Method for manufacturing spilanthol and intermediate manufacturing product therefor TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-05-12 US disclosed
US-20120116116-A1 METHOD FOR MANUFACTURING SPILANTHOL AND INTERMEDIATE MANUFACTURING PRODUCT THEREFOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-10 US disclosed
US-20120116116-A1 METHOD FOR MANUFACTURING SPILANTHOL AND INTERMEDIATE MANUFACTURING PRODUCT THEREFOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-10 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 (1 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-20120116116-A1 METHOD FOR MANUFACTURING SPILANTHOL AND INTERMEDIATE MANUFACTURING PRODUCT THEREFOR CYP4A11, CYP4F8, CYP51A1 CNR2 522/4885CNR1 363/4885TRPA1 840/4885

“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.