SCHEMBL13313801

SCHEMBL13313801

COC1CCC(C)CCCCC(C)CCC1C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.31
APLNR P35414 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
SCHEMBL13313799 0.91 CYP2D6 (0.36) CYP2D6KDM4E
SCHEMBL13313800 0.91 CYP2D6 (0.40) CYP2D6APLNR
SCHEMBL13313798 0.86 CYP2D6 (0.40) CYP2D6KDM4E
SCHEMBL13367601 0.84
SCHEMBL26176593 0.84
SCHEMBL12860105 0.84
SCHEMBL5044748 0.84
SCHEMBL23437396 0.79
SCHEMBL13480297 0.79
SCHEMBL12306213 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737107-B2 Trimethylcyclododecatriene derivatives, use thereof and perfumed products containing the same Fils, V. Mane (FR) 2010-06-15 US disclosed
US-20080139446-A1 Novel Trimethylcyclodoecatriene Derivatives, Use Thereof And Perfumed Products Containing The Same V. MANE FILS (FR) 2008-06-12 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-20080139446-A1 Novel Trimethylcyclodoecatriene Derivatives, Use Thereof And Perfumed Products Containing The Same CBR3, C5, OXER1 CYP2D6 297/4885KDM4E 1380/4885APLNR 3081/4885

“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.