SCHEMBL6400978

SCHEMBL6400978

CC(C)(C)[Si](C)(C)OC1CCCC=C(c2ccccc2)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.34
FFAR2 O15552 1/20 0.33
ELANE P08246 1/20 0.33
BUB1 O43683 1/20 0.32
SLC18A3 Q16572 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HSD11B1 P28845 2/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
PPARA Q07869 1/20 0.30
ACMSD Q8TDX5 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
SCHEMBL6400974 1.00 MAT2A (0.34) MAT2AFFAR2ELANEBUB1SLC18A3
SCHEMBL6400953 0.76 SLC18A3 (0.38) SLC18A3DRD2DRD4DRD3
SCHEMBL7335164 0.73 PPM1D (0.35)
SCHEMBL6400951 0.73 SLC18A3 (0.40) SLC18A3
SCHEMBL6552564 0.72 PPM1D (0.34)
SCHEMBL6396660 0.71 TRIM24 (0.36)
SCHEMBL6399661 0.71 HPGD (0.35) BUB1
SCHEMBL3861018 0.71 PPM1D (0.31)
SCHEMBL3861017 0.71 PPM1D (0.31)
SCHEMBL3863183 0.70 PPM1D (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 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 MAT2A 3153/4885FFAR2 1316/4885ELANE 426/4885

“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.