SCHEMBL6399633

SCHEMBL6399633

COCOC1CCC(Cc2ccccc2)CCC=CC(=O)C1OCOC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.46
PSEN2 P49810 5/20 0.46
APH1B Q8WW43 5/20 0.46
NCSTN Q92542 5/20 0.46
APH1A Q96BI3 5/20 0.46
PSENEN Q9NZ42 5/20 0.46
ABCB1 P08183 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GBA1 P04062 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL6399630 1.00 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6399814 0.81 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6399817 0.81 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6403306 0.78 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6545132 0.76 MEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6399556 0.76 MEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6399561 0.76 MEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6403490 0.74 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6403703 0.73 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6403709 0.73 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 4364/4885PSEN2 4281/4885APH1B 2964/4885

“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.