SCHEMBL6399511

SCHEMBL6399511

COCOc1ccccc1CCC1CCCC(=O)C(O)C(O)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.37
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
QRFPR Q96P65 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
SCHEMBL6403404 0.82 KCNH2 (0.47) KCNH2
SCHEMBL6402637 0.81 PSEN1 (0.40) KCNH2TSHRHSD17B10
SCHEMBL6399588 0.79 HRH3 (0.36) HSD17B10
SCHEMBL6398122 0.79 KCNH2 (0.38) KCNH2
SCHEMBL6398964 0.76 KCNH2 (0.39) KCNH2
SCHEMBL6398967 0.76 KCNH2 (0.39) KCNH2
SCHEMBL6399469 0.75 CTSS (0.40)
SCHEMBL6406206 0.72 PSEN1 (0.43)
SCHEMBL27761600 0.67 TAAR1 (0.43)
SCHEMBL22382257 0.67 ABCB1 (0.51)

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 KCNH2 633/4885TSHR 2547/4885HSD17B10 105/4885

“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.