SCHEMBL6400302

SCHEMBL6400302

O=C1C=CCC(CCc2ccccc2O)CC(O)C1O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
MAP3K7 O43318 3/20 0.35
NR2C2 P49116 1/20 0.35
GSK3B P49841 1/20 0.35
PRKD1 Q15139 1/20 0.35
TAB1 Q15750 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
GAA P10253 1/20 0.33
CREBBP Q92793 1/20 0.32
MPO P05164 1/20 0.32
SLC1A2 P43004 1/20 0.32
AKR1B1 P15121 1/20 0.32
HSPA5 P11021 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL6399916 1.00 TAAR1 (0.35) TAAR1MAP3K7NR2C2GSK3BPRKD1
SCHEMBL6398539 0.82 PSEN1 (0.40)
SCHEMBL6398544 0.82 PSEN1 (0.40)
SCHEMBL6397920 0.80 TAAR1 (0.33) TAAR1ALDH1A1POLBHRH3GAA
SCHEMBL6397931 0.80 TAAR1 (0.33) TAAR1ALDH1A1POLBHRH3GAA
SCHEMBL6398925 0.77 OPRM1 (0.39) TAAR1GAA
SCHEMBL6399588 0.75 HRH3 (0.36) TAAR1ALDH1A1POLBHRH3GAA
SCHEMBL6396679 0.74 HRH3 (0.36) TAAR1ALDH1A1POLBHRH3CREBBP
SCHEMBL6396683 0.74 HRH3 (0.36) TAAR1ALDH1A1POLBHRH3CREBBP
SCHEMBL6403374 0.73 PSEN1 (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 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 TAAR1 2321/4885MAP3K7 1728/4885NR2C2 243/4885

“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.