SCHEMBL6324090

SCHEMBL6324090

CCCCCCC1CCC(C2CCCCC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
ALDH1A1 P00352 1/20 0.35
NAAA Q02083 2/20 0.34
EPHX1 P07099 9/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
EPHX2 P34913 2/20 0.33

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
SCHEMBL6324068 0.98 CYP1A2 (0.39) CYP1A2ALDH1A1NAAAEPHX1CHRNB2
SCHEMBL6331827 0.98 CYP1A2 (0.37) CYP1A2ALDH1A1NAAAEPHX1CHRNB2
SCHEMBL6325552 0.98 CYP1A2 (0.39) CYP1A2ALDH1A1NAAAEPHX1CHRNB2
SCHEMBL5459378 0.97 CYP1A2 (0.37) CYP1A2ALDH1A1EPHX1CHRNB2CHRNA7
SCHEMBL6323238 0.93 CYP1A2 (0.42) CYP1A2ALDH1A1
SCHEMBL6323627 0.92 CYP1A2 (0.39) CYP1A2ALDH1A1
SCHEMBL6325530 0.80 CYP1A2 (0.48) CYP1A2ALDH1A1EPHX1
SCHEMBL6332026 0.80 CYP1A2 (0.48) CYP1A2ALDH1A1EPHX1
SCHEMBL6324122 0.80 CYP1A2 (0.48) CYP1A2ALDH1A1EPHX1
SCHEMBL6330869 0.79 FNTA (0.30)

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.