SCHEMBL6400406

SCHEMBL6400406

CC(C)(C)[Si](C)(C)OC1CCCC(O)(Cc2ccccc2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.40
OPRM1 P35372 3/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
GRIN2B Q13224 4/20 0.34
AVPR1A P37288 2/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
PPM1D O15297 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32

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
SCHEMBL6398449 0.83 CYP46A1 (0.37) GRIN2BCYP46A1
SCHEMBL6405514 0.77 FDFT1 (0.39)
SCHEMBL6399788 0.76 OPRM1 (0.39) OPRL1OPRM1OPRD1OPRK1
SCHEMBL13112943 0.74 OPRM1 (0.48) OPRL1OPRM1
SCHEMBL23704760 0.72 THRB (0.33) OPRL1OPRM1PPM1D
SCHEMBL735823 0.72 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1GRIN2B
SCHEMBL4206116 0.72 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1GRIN2B
SCHEMBL17157415 0.72 AGER (0.41) OPRM1PPM1D
SCHEMBL17157414 0.72 AGER (0.41) OPRM1PPM1D
SCHEMBL17157417 0.72 AGER (0.41) OPRM1PPM1D

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-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US disclosed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 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 (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-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof CCR1, CCL2, CCR5 OPRL1 1468/4885OPRM1 977/4885OPRD1 159/4885

“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.