SCHEMBL2683633

SCHEMBL2683633

CC=CC=CCCC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS2 P35354 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SOAT1 P35610 1/20 0.39
TRPA1 O75762 2/20 0.39
CNR2 P34972 8/20 0.37
CNR1 P21554 6/20 0.37

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
SCHEMBL2683632 1.00 NR1I2 (0.46) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL10300850 1.00 NR1I2 (0.46) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL8516742 0.89 NR1I2 (0.60) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL6973425 0.88 NR1I2 (0.52) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL11793409 0.88 NR1I2 (0.52) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL28569871 0.87 ALDH1A1 (0.59) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL31275312 0.84 NR1I2 (0.53) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9183887 0.83 NR1I2 (0.60) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9183882 0.83 NR1I2 (0.60) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL28978669 0.81 NR1I2 (0.44) NR1I2PGRADORA3PTGS2PDE4D

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 11 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-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
CN-102471238-B Method for manufacturing spilanthol and intermediate manufacturing product therefor TAKASAGO PERFUMERY CO LTD 2014-04-02 CN disclosed
EP-2455363-A1 METHOD FOR MANUFACTURING SPILANTHOL AND INTERMEDIATE MANUFACTURING PRODUCT THEREFOR Takasago International Corporation (JP) 2012-05-23 EP disclosed
EP-2455363-A1 METHOD FOR MANUFACTURING SPILANTHOL AND INTERMEDIATE MANUFACTURING PRODUCT THEREFOR Takasago International Corporation (JP) 2012-05-23 EP disclosed
CN-102471238-A Process for producing spilanthol and intermediate for producing the same TAKASAGO PERFUMERY CO LTD 2012-05-23 CN 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
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 NR1I2 3042/4885PGR 2232/4885ADORA3 3321/4885

“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.