SCHEMBL5158025

SCHEMBL5158025

C=CC1CCCCCCCCCCC1O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
TSHR P16473 1/20 0.32
SLC18A3 Q16572 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GSR P00390 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
SCHEMBL19988476 0.97
SCHEMBL4175207 0.97
SCHEMBL12829162 0.97
SCHEMBL13807049 0.97
SCHEMBL1274061 0.92
SCHEMBL1274067 0.92
SCHEMBL1274063 0.92
SCHEMBL1819105 0.80
SCHEMBL17798840 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7130840 0.77 GBA1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1162189-B1 Process for producing 2-vinylcyclododecanone. TAKASAGO PERFUMERY CO LTD (JP) 2007-02-28 EP disclosed
US-6548711-B2 Heating 2-ethylidenecyclododecanone in the presence of a catalyst to establish an isomeration equilibrium state between said Z-isomer, E-isomer and 2- vinylcyclodecanone and separating the 2-vinylcyclododecanone by fractionation TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-04-15 US disclosed
US-20020038056-A1 Process for producing 2-vinylcyclododecanone TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-03-28 US disclosed
EP-1162189-A2 Process for producing 2-vinylcyclododecanone. Takasago International Corporation (JP) 2001-12-12 EP disclosed
EP-0955285-B1 Process and apparatus for production of 5-cyclohexadecen-1-one TAKASAGO PERFUMERY CO LTD (JP) 2001-11-14 EP disclosed
US-6169211-B1 HEATING 1,2-DIVINYLCYCLODODECANOL IN THE VAPOR PHASE AT HIGH TEMPERATURE UNDER REDUCED PRESSURE TO FORM 5-CYCLOHEXADECEN-1-ONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-01-02 US disclosed
EP-0955285-A1 Process and apparatus for production of 5-cyclohexadecen-1-one Takasago International Corporation (JP) 1999-11-10 EP disclosed
US-3923699-A Cyclohexadecenone-5 perfume compositions TAKASAGO PERFUMERY CO LTD 1975-12-02 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-20020038056-A1 Process for producing 2-vinylcyclododecanone CYP4A22, CCNY, CYP2J2 CA1 4157/4885CA2 3672/4885CA4 1785/4885

“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.