SCHEMBL6399650

SCHEMBL6399650

COc1ccc(C(=O)OC2CC/C=C\C(=O)C(O)C(O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL6399655 1.00 STS (0.41) STSCA1CA2SMN1; SMN2MAPT
SCHEMBL6399653 1.00 STS (0.41) STSCA1CA2SMN1; SMN2MAPT
SCHEMBL6403403 0.85 MEN1 (0.47) MAPTCYP2C9CYP2C19MEN1KMT2A
SCHEMBL6403398 0.85 MEN1 (0.47) MAPTCYP2C9CYP2C19MEN1KMT2A
SCHEMBL6403390 0.85 MEN1 (0.47) MAPTCYP2C9CYP2C19MEN1KMT2A
SCHEMBL6399688 0.81 MAPK1 (0.54) STSCA1CA2SMN1; SMN2MAPT
SCHEMBL4544921 0.80 CA1 (0.60) STSCA1CA2SMN1; SMN2MAPT
SCHEMBL6400288 0.80 MAPK1 (0.49) STSCA1CA2SMN1; SMN2MAPT
SCHEMBL6398547 0.80 MAPK1 (0.49) STSCA1CA2SMN1; SMN2MAPT
SCHEMBL6545562 0.79 STS (0.38) STSCA1CA2SMN1; SMN2MAPT

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 8 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 claimed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US claimed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP claimed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP claimed
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 2310/4885CA1 2021/4885CA2 1248/4885

“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.