SCHEMBL6403316

SCHEMBL6403316

COCOc1cccc(CCC2CCCC(=O)C(OCOC)C(OCOC)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
KCNH2 Q12809 4/20 0.38
HTR1A P08908 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL6399635 0.87 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6398122 0.82 KCNH2 (0.38) KCNH2HTR1ASLC6A4
SCHEMBL6403710 0.81 KCNH2 (0.45) KCNH2
SCHEMBL6399952 0.80 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6399947 0.80 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6402637 0.80 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6399940 0.76 KCNH2 (0.39) KCNH2
SCHEMBL6399936 0.76 KCNH2 (0.39) KCNH2
SCHEMBL6406206 0.75 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6398580 0.67 MAOB (0.40) KCNH2

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.