SCHEMBL823105

SCHEMBL823105

CC(C)=CCC1C(=O)C(C(=O)C(C)C)=C(O)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.40
▸ ACHE P22303 1/20 0.32
▸ SOAT2 O75908 1/20 0.30
▸ SOAT1 P35610 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
SCHEMBL823179 0.87 XDH (0.35) ALOX5
SCHEMBL1706160 0.82 KDM4E (0.41) ALOX5
SCHEMBL823104 0.82 KDM4E (0.41) ALOX5
SCHEMBL29823542 0.82 KDM4E (0.41) ALOX5
SCHEMBL14069341 0.82 KDM4E (0.41) ALOX5
SCHEMBL2343789 0.82 KDM4E (0.41) ALOX5
SCHEMBL18409845 0.79 ALOX5 (0.34) ALOX5
SCHEMBL823176 0.78 ALOX5 (0.31) ALOX5
SCHEMBL20714452 0.76 ALOX5 (0.33) ALOX5
SCHEMBL29823181 0.71 KDM4E (0.41) ALOX5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275721-A1 METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION METAPROTEOMICS, LLC (US) 2011-11-10 — — US 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-20110275721-A1 METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION CYCS, CYP1B1, PDE1C ALOX5 1912/4885ACHE 987/4885SOAT2 3043/4885

“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.

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