SCHEMBL6399788

SCHEMBL6399788

CC(C)(C)[Si](C)(C)OC1CCCCC(O)(c2ccccc2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.39
OPRK1 P41145 4/20 0.39
OPRL1 P41146 4/20 0.39
OPRD1 P41143 2/20 0.39
ALDH1A1 P00352 3/20 0.36
HSD11B1 P28845 3/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
TOP2A P11388 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL6400406 0.76 OPRL1 (0.40) OPRM1OPRK1OPRL1OPRD1
SCHEMBL6400953 0.76 SLC18A3 (0.38) ALDH1A1TSHRSMN1; SMN2
SCHEMBL7335164 0.73 PPM1D (0.35)
SCHEMBL6400951 0.73 SLC18A3 (0.40) TSHR
SCHEMBL26015237 0.73 TOP2A (0.33) CHRM3TOP2ASLC6A3
Methyl Alcohol SCHEMBL29180934 0.72 PPM1D (0.35)
SCHEMBL6552564 0.72 PPM1D (0.34)
SCHEMBL1109741 0.72 OPRL1 (0.57) OPRM1OPRK1OPRL1OPRD1
SCHEMBL26015241 0.71 CHRM3 (0.30) CHRM3TOP2A
SCHEMBL26015098 0.71 CHRM3 (0.30) CHRM3TOP2A

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 OPRM1 977/4885OPRK1 385/4885OPRL1 1468/4885

“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.