SCHEMBL6399646

SCHEMBL6399646

O=C1C=CCCC(Cc2ccccc2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GRIN2B Q13224 2/20 0.41
SLC18A3 Q16572 1/20 0.40
CCR3 P51677 2/20 0.40
HTR1A P08908 1/20 0.38

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
SCHEMBL6399644 1.00 GBA1 (0.42) GBA1SIGMAR1ALDH1A1GRIN2BSLC18A3
SCHEMBL6398527 1.00 GBA1 (0.42) GBA1SIGMAR1ALDH1A1GRIN2BSLC18A3
SCHEMBL6401520 0.86 CTSS (0.40) ALDH1A1
SCHEMBL6401525 0.86 CTSS (0.40) ALDH1A1
SCHEMBL6401517 0.86 CTSS (0.40) ALDH1A1
SCHEMBL6398882 0.82 SIGMAR1 (0.44) GBA1SIGMAR1GRIN2BCCR3HTR1A
SCHEMBL6398880 0.82 SIGMAR1 (0.44) GBA1SIGMAR1GRIN2BCCR3HTR1A
SCHEMBL6396650 0.80 HPGD (0.41) ALDH1A1
SCHEMBL6396653 0.80 HPGD (0.41) ALDH1A1
SCHEMBL6396647 0.80 HPGD (0.41) ALDH1A1

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 GBA1 2995/4885SIGMAR1 1365/4885ALDH1A1 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.