SCHEMBL10024045

SCHEMBL10024045

CCC1C[C@@H](C)CC(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 3/20 0.38
PPARG P37231 2/20 0.35
MAOA P21397 1/20 0.33
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL10024051 1.00 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2PPARGMAOACA1
SCHEMBL16090895 1.00 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2PPARGMAOACA1
SCHEMBL14392849 1.00 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2PPARGMAOACA1
SCHEMBL14520416 0.84 CYP1A2 (0.43) SMN1; SMN2CYP1A2PPARGSIRT2
SCHEMBL12732035 0.84 CYP1A2 (0.43) SMN1; SMN2CYP1A2PPARGSIRT2
SCHEMBL11955423 0.82 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2PPARGCA1CA9
SCHEMBL12897962 0.82 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2PPARG
SCHEMBL14520404 0.82 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2PPARG
SCHEMBL26383054 0.80 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2PPARGMAOACA1
SCHEMBL9300447 0.80 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2PPARGMAOACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148550-B2 selected from fluvastatin, rosuvastatin, cerivastatin, glenvastatin or atorvastatin, by reduction or lactonization of chemical intermediate compounds, then hydrogenation, decyclization and deprotection of hydroxy groups RATIOPHARM GMBH (DE) 2012-04-03 US disclosed
US-20080249306-A1 Method for the Production of Statins RATIOPHARM GMBH (DE) 2008-10-09 US disclosed
US-20070093660-A1 Method for the production of statins RATIOPHARM GMBH (DE) 2007-04-26 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 (2 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-20070093660-A1 Method for the production of statins HMGCR, CYP11A1, CYP51A1 SMN1; SMN2 3988/4885CYP1A2 69/4885PPARG 2957/4885
US-20080249306-A1 Method for the Production of Statins HMGCR, COASY, PCSK9 SMN1; SMN2 4803/4885CYP1A2 190/4885PPARG 1376/4885

“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.