SCHEMBL6399661

SCHEMBL6399661

CC(C)(C)[Si](C)(C)OC1CCCC(=Cc2ccccc2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.32
CYP1A2 P05177 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
F3 P13726 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31
CHRNA9 Q9UGM1 1/20 0.31
BUB1 O43683 1/20 0.31
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6397918 0.82 NPC1 (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17684271 0.80 HSD11B1 (0.40) ALDH1A1MAPTHTTNPSR1
SCHEMBL17685015 0.79 CYP1A2 (0.39) HPGDALDH1A1CYP1A2NPC1RAB9A
SCHEMBL6406215 0.74
SCHEMBL6400953 0.74 SLC18A3 (0.38) ALDH1A1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL6428158 0.72 PPM1D (0.34)
SCHEMBL6400951 0.71 SLC18A3 (0.40) CYP1A2CYP2D6CYP2C19
SCHEMBL18271841 0.71 BUB1 (0.30) BUB1
SCHEMBL22416484 0.71 CYP3A4 (0.31) HPGDALDH1A1MAPTBUB1CYP2C19
SCHEMBL6400974 0.71 MAT2A (0.34) BUB1

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 HPGD 163/4885ALDH1A1 4117/4885MAPT 4850/4885

“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.