SCHEMBL6399154

SCHEMBL6399154

COCOC1CCC(OC(=O)c2ccc(OC)cc2)CC/C=C\C(=O)C1OCOC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33

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
SCHEMBL6545562 1.00 STS (0.38) STSSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL6399166 1.00 STS (0.38) STSSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL6545132 0.90 MEN1 (0.41) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL6399556 0.90 MEN1 (0.41) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL6399561 0.90 MEN1 (0.41) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL6398961 0.83 MAPK1 (0.47) STSSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL6399653 0.79 STS (0.41) STSSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL6399655 0.79 STS (0.41) STSSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL6399650 0.79 STS (0.41) STSSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL6544709 0.78 BCHE (0.36) SMN1; SMN2HTTKMT2APTPN2PTPN1

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 STS 2310/4885SMN1; SMN2 4655/4885MAPT 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.