SCHEMBL6327995

SCHEMBL6327995

CCCCCC1CCC(CCCC)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HLCS P50747 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PPARG P37231 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6326280 0.98 CYP1A2 (0.47) CYP1A2EPHX1ALDH1A1HLCSL3MBTL1
SCHEMBL6325406 0.98 CYP1A2 (0.47) CYP1A2EPHX1ALDH1A1HLCSL3MBTL1
SCHEMBL6332614 0.98 CYP1A2 (0.46) CYP1A2EPHX1ALDH1A1HLCSL3MBTL1
SCHEMBL6324122 0.95 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1HLCSL3MBTL1
SCHEMBL6325530 0.95 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1HLCSL3MBTL1
SCHEMBL6332026 0.95 CYP1A2 (0.48) CYP1A2EPHX1ALDH1A1HLCSL3MBTL1
SCHEMBL6327304 0.95 CYP1A2 (0.41) CYP1A2ALDH1A1NFKB1NFKB2RELA
SCHEMBL23041063 0.91 CYP1A2 (0.42) CYP1A2EPHX1ALDH1A1HLCSL3MBTL1
SCHEMBL3267370 0.89 CYP1A2 (0.43) CYP1A2EPHX1ALDH1A1HLCSL3MBTL1
SCHEMBL28858292 0.87 CYP1A2 (0.46) CYP1A2EPHX1ALDH1A1HLCSL3MBTL1

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 CYP1A2 57/4885EPHX1 1386/4885ALDH1A1 954/4885

“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.