SCHEMBL6399469

SCHEMBL6399469

O=C1CCCC(CCc2ccccc2)CC(O)C1O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
SLC18A3 Q16572 1/20 0.39
MFN2 O95140 1/20 0.38
EPHX2 P34913 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 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
SCHEMBL6399269 0.85 SLC18A3 (0.43) CTSSCTSKSLC18A3EPHX2
SCHEMBL6399588 0.83 HRH3 (0.36)
SCHEMBL6406206 0.80 PSEN1 (0.43) CTSSCTSK
SCHEMBL6398122 0.79 KCNH2 (0.38)
SCHEMBL6399379 0.76 CTSS (0.48) CTSSCTSK
SCHEMBL6399511 0.75 KCNH2 (0.37)
SCHEMBL11808959 0.74 CYP3A4 (0.47) CTSSCTSK
SCHEMBL6398539 0.73 PSEN1 (0.40) CTSSCTSKSLC18A3
SCHEMBL6398544 0.73 PSEN1 (0.40) CTSSCTSKSLC18A3
SCHEMBL6405521 0.73 SLC18A3 (0.49) SLC18A3

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 CTSS 899/4885CTSK 364/4885SLC18A3 4816/4885

“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.