SCHEMBL6399758

SCHEMBL6399758

COCOc1cc(OC)ccc1CCC1CCCC(=O)CCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ROR1 Q01973 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KCNH2 Q12809 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 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
SCHEMBL6403356 0.85 KMT2A (0.35) NPC1RAB9ATSHRKMT2AMEN1
SCHEMBL6403361 0.85 KMT2A (0.35) NPC1RAB9ATSHRKMT2AMEN1
SCHEMBL6403404 0.83 KCNH2 (0.47) KCNH2
SCHEMBL6402698 0.81 POLB (0.50) NPC1RAB9AKMT2AMEN1
SCHEMBL6398580 0.78 MAOB (0.40) KCNH2
SCHEMBL6398904 0.77 POLB (0.49) NPC1RAB9ATSHRKMT2AMEN1
SCHEMBL6403710 0.74 KCNH2 (0.45) KCNH2
SCHEMBL6398964 0.68 KCNH2 (0.39) KCNH2
SCHEMBL6398967 0.68 KCNH2 (0.39) KCNH2
SCHEMBL14861120 0.68 MAOB (0.48)

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 NPC1 2828/4885RAB9A 4319/4885TSHR 2547/4885

“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.