SCHEMBL6404819

SCHEMBL6404819

CCOC(=O)C=C1CCCC(O[Si](C)(C)C(C)(C)C)CCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
RECQL P46063 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
PPM1D O15297 2/20 0.34
HPGD P15428 2/20 0.34
ELANE P08246 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
OPRM1 P35372 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
SCHEMBL23385940 0.93 ESR2 (0.40) ESR2RECQLSMN1; SMN2JAK2JAK1
SCHEMBL13531907 0.82 ESR2 (0.38) ESR2RECQLSMN1; SMN2JAK2JAK1
SCHEMBL12397927 0.78 ESR2 (0.35) ESR2RECQLSMN1; SMN2PPM1DHPGD
SCHEMBL6428158 0.75 PPM1D (0.34) ESR2PPM1D
SCHEMBL905258 0.75 ESR2 (0.54) ESR2RECQLSMN1; SMN2JAK2JAK1
SCHEMBL1668850 0.75 ESR2 (0.54) ESR2RECQLSMN1; SMN2JAK2JAK1
SCHEMBL28686895 0.75 L3MBTL1 (0.37) PPM1DL3MBTL1
SCHEMBL19945734 0.75 L3MBTL1 (0.37) PPM1DL3MBTL1
SCHEMBL25313837 0.74 ESR2 (0.53) ESR2RECQLSMN1; SMN2JAK2JAK1
SCHEMBL25311256 0.74 ESR2 (0.53) ESR2RECQLSMN1; SMN2JAK2JAK1

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 ESR2 661/4885RECQL 3049/4885SMN1; SMN2 4655/4885

“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.