SCHEMBL6400376

SCHEMBL6400376

COc1ccc(C(=O)OC2CCCCC(=O)CCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
STS P08842 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
TP53 P04637 1/20 0.44

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
SCHEMBL29055579 0.91 STS (0.63) MAPK1STSSMN1; SMN2HTTNPC1
SCHEMBL7411400 0.90 CA1 (0.51) MAPK1STSSMN1; SMN2NPC1RAB9A
SCHEMBL9541270 0.88 STS (0.59) MAPK1STSSMN1; SMN2HTTNPC1
SCHEMBL4544921 0.85 CA1 (0.60) STSSMN1; SMN2NPC1RAB9ACA1
SCHEMBL6398547 0.84 MAPK1 (0.49) MAPK1STSSMN1; SMN2HTTNPC1
SCHEMBL6400288 0.84 MAPK1 (0.49) MAPK1STSSMN1; SMN2HTTNPC1
SCHEMBL6399688 0.83 MAPK1 (0.54) MAPK1STSSMN1; SMN2HTTNPC1
SCHEMBL6399642 0.82 KMT2A (0.55) STSSMN1; SMN2HTTNPC1RAB9A
SCHEMBL12227845 0.80 CA1 (0.55) STSSMN1; SMN2NPC1RAB9ACA1
SCHEMBL17933785 0.80 CA1 (0.55) STSSMN1; SMN2NPC1RAB9ACA1

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 MAPK1 1166/4885STS 2310/4885SMN1; SMN2 4655/4885

“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.