SCHEMBL6331827

SCHEMBL6331827

CCCCCC1CCC(C2CCCCC2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.37
ALDH1A1 P00352 2/20 0.35
NAAA Q02083 2/20 0.32
CCR2 P41597 2/20 0.32
CCR1 P32246 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
EPHX1 P07099 2/20 0.31
CYP19A1 P11511 3/20 0.31

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
SCHEMBL6324090 0.98 CYP1A2 (0.38) CYP1A2ALDH1A1NAAACHRNB2CHRNA7
SCHEMBL5459378 0.98 CYP1A2 (0.37) CYP1A2ALDH1A1CCR2CHRNB2CHRNA7
SCHEMBL6324068 0.97 CYP1A2 (0.39) CYP1A2ALDH1A1NAAACHRNB2CHRNA7
SCHEMBL6325552 0.97 CYP1A2 (0.39) CYP1A2ALDH1A1NAAACHRNB2CHRNA7
SCHEMBL6323238 0.95 CYP1A2 (0.42) CYP1A2ALDH1A1CCR2CCR1
SCHEMBL6323627 0.93 CYP1A2 (0.39) CYP1A2ALDH1A1CCR2CCR1
SCHEMBL6330869 0.81 FNTA (0.30)
SCHEMBL6332614 0.80 CYP1A2 (0.46) CYP1A2ALDH1A1EPHX1CYP19A1
SCHEMBL6327408 0.79 FNTA (0.31)
SCHEMBL6325530 0.78 CYP1A2 (0.48) CYP1A2ALDH1A1EPHX1CYP19A1

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 954/4885NAAA 2030/4885

“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.