SCHEMBL6399688

SCHEMBL6399688

COc1ccc(C(=O)OC2CCCCC(=O)C(O)C(O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
STS P08842 4/20 0.47
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL6399210 0.85 MCL1 (0.48) STSALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL6400376 0.83 MAPK1 (0.56) MAPK1STSALDH1A1SMN1; SMN2NPC1
SCHEMBL29055579 0.83 STS (0.63) MAPK1STSALDH1A1SMN1; SMN2NPC1
SCHEMBL6399653 0.81 STS (0.41) MAPK1STSSMN1; SMN2NPC1HTT
SCHEMBL6399655 0.81 STS (0.41) MAPK1STSSMN1; SMN2NPC1HTT
SCHEMBL6399650 0.81 STS (0.41) MAPK1STSSMN1; SMN2NPC1HTT
SCHEMBL9541270 0.80 STS (0.59) MAPK1STSALDH1A1SMN1; SMN2NPC1
SCHEMBL4544921 0.80 CA1 (0.60) STSSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6398961 0.77 MAPK1 (0.47) MAPK1STSALDH1A1SMN1; SMN2NPC1
SCHEMBL6400288 0.77 MAPK1 (0.49) MAPK1STSALDH1A1SMN1; SMN2NPC1

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 2310/4885ALDH1A1 4117/4885

“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.