SCHEMBL6325303

SCHEMBL6325303

CCCCC1CCC(CC(C)C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.33
NFKB2 Q00653 3/20 0.33
RELA Q04206 3/20 0.33
CYP1A2 P05177 4/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
MME P08473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PIK3CD O00329 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
SCHEMBL6325805 0.95 CYP1A2 (0.38) CYP1A2ALDH1A1
SCHEMBL6325329 0.93 CYP1A2 (0.40) CYP1A2ALDH1A1
SCHEMBL6327304 0.86 CYP1A2 (0.41) NFKB1NFKB2RELACYP1A2MAPT
SCHEMBL6332606 0.85 MAPT (0.38) NFKB1NFKB2RELACYP1A2MAPT
SCHEMBL6325480 0.84 PIK3CD (0.38) MMEPIK3CD
SCHEMBL6327995 0.82 CYP1A2 (0.44) NFKB1NFKB2RELACYP1A2MAPT
SCHEMBL6326280 0.80 CYP1A2 (0.47) CYP1A2ALDH1A1
SCHEMBL6325406 0.80 CYP1A2 (0.47) CYP1A2ALDH1A1
SCHEMBL6325069 0.80 CYP1A2 (0.38) CYP1A2MAPTMEN1KMT2AALDH1A1
SCHEMBL6332614 0.80 CYP1A2 (0.46) CYP1A2ALDH1A1

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 NFKB1 853/4885NFKB2 897/4885RELA 1502/4885

“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.