SCHEMBL6325309

SCHEMBL6325309

CC(C)CCCC1CCC(C2CCCCC2)C1O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MMP2 P08253 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL6327480 0.98 GBA1 (0.33) GBA1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6322813 0.90 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6327660 0.88 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6325157 0.81 CYP1A2 (0.44) CYP1A2
SCHEMBL6333470 0.80 GBA1 (0.41) GBA1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6324121 0.80 CYP1A2 (0.38) GBA1CYP1A2
SCHEMBL6325318 0.80 CYP1A2 (0.41) GBA1CYP1A2
SCHEMBL6325857 0.80 MEN1 (0.34) ALDH1A1
SCHEMBL6322536 0.79 NAAA (0.38) GBA1CYP1A2
SCHEMBL6324978 0.78 CA1 (0.37) GBA1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009928-A1 Cyclopentanone derivative ZEON CORPORATION (JP) 2005-01-13 US disclosed
EP-1420005-A1 CYCLOPENTANONE DERIVATIVE Zeon Corporation (JP) 2004-05-19 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-20050009928-A1 Cyclopentanone derivative PTGIS, CYP51A1, TRPA1 GBA1 3279/4885ALDH1A1 954/4885CYP1A2 57/4885

“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.