SCHEMBL9607559

SCHEMBL9607559

CC(C)(C)[C@@H]1CCC(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9607558 1.00 CA1 (0.50) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL2664154 1.00 CA1 (0.50) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL13533896 0.86 CA1 (0.46) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL13817904 0.86 CA1 (0.46) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL9927430 0.82 CA1 (0.46) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL22972533 0.79 CA1 (0.43) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL9559189 0.76 CA1 (0.44) CA1CA9CYP1A2
SCHEMBL12182879 0.76 CA1 (0.44) CA1CA9CYP1A2
SCHEMBL25327380 0.76 CA1 (0.41) CA1CA9CYP1A2
SCHEMBL9436287 0.74 CA1 (0.39) CA1CA9CYP1A2

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-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 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-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH CA1 2386/4885CA9 3257/4885CYP1A2 996/4885

“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.