SCHEMBL6399269

SCHEMBL6399269

O=C1CCCCC(CCc2ccccc2)CCC(O)C1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.43
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MCL1 Q07820 1/20 0.39
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL6405521 0.86 SLC18A3 (0.49) SLC18A3KDM4EMCL1MAPTOPRK1
SCHEMBL6399469 0.85 CTSS (0.40) SLC18A3EPHX2CTSSCTSK
SCHEMBL6397923 0.83 ALDH1A1 (0.37) KDM4EMCL1MAPTOPRM1OPRK1
SCHEMBL6399518 0.79 CTSS (0.47) EPHX2CTSSCTSKMAOAMAOB
SCHEMBL705394 0.77 CTSS (0.56) CTSSCTSKMAOAMAOBOPRM1
SCHEMBL6399273 0.76 MAOA (0.38) SLC18A3CTSSCTSKMAOAMAOB
SCHEMBL6399266 0.76 MAOA (0.38) SLC18A3CTSSCTSKMAOAMAOB
SCHEMBL60979 0.75 CTSS (0.54) EPHX2CTSSCTSKMAOAMAOB
SCHEMBL6519387 0.75 CTSS (0.46) EPHX2CTSSCTSKOPRM1OPRD1
SCHEMBL6399379 0.75 CTSS (0.48) CTSSCTSKMAOAMAOBOPRM1

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 8 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 claimed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US claimed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP claimed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP claimed
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 SLC18A3 4816/4885EPHX2 223/4885KDM4E 2070/4885

“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.