SCHEMBL6323627

SCHEMBL6323627

CCCCC1CCC(C2CCCC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.39
ALDH1A1 P00352 2/20 0.37
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
CCR1 P32246 1/20 0.30
CCR2 P41597 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL6323238 0.98 CYP1A2 (0.42) CYP1A2ALDH1A1NOS1NOS2TDP1
SCHEMBL5459378 0.95 CYP1A2 (0.37) CYP1A2ALDH1A1CCR2
SCHEMBL6325552 0.93 CYP1A2 (0.39) CYP1A2ALDH1A1
SCHEMBL6331827 0.93 CYP1A2 (0.37) CYP1A2ALDH1A1CCR1CCR2
SCHEMBL6324068 0.93 CYP1A2 (0.39) CYP1A2ALDH1A1
SCHEMBL6324090 0.92 CYP1A2 (0.38) CYP1A2ALDH1A1
SCHEMBL6327408 0.81 FNTA (0.31)
SCHEMBL6327304 0.80 CYP1A2 (0.41) CYP1A2ALDH1A1TDP1TP53NFKB1
SCHEMBL6330869 0.80 FNTA (0.30)
SCHEMBL6331398 0.77 HTT (0.31)

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 57/4885ALDH1A1 954/4885NOS1 84/4885

“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.