SCHEMBL15459130

SCHEMBL15459130

COC(=O)CC(=O)Oc1c(CC=C(C)C)c(C)c(O)c(CO)c1CO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.39
BACE1 P56817 1/20 0.37
IMPDH2 P12268 9/20 0.37
MAOB P27338 1/20 0.37
IMPDH1 P20839 1/20 0.34
SMPD1 P17405 1/20 0.33
PTGES O14684 2/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL15459018 0.91 APP (0.36) APPBACE1IMPDH2MAOBIMPDH1
SCHEMBL13039801 0.83 APP (0.45) APPBACE1IMPDH2MAOBIMPDH1
SCHEMBL15459064 0.79 IMPDH2 (0.38) APPBACE1IMPDH2IMPDH1
SCHEMBL13039798 0.79 APP (0.42) APPBACE1IMPDH2IMPDH1SMPD1
SCHEMBL15459152 0.77 APP (0.39) APPBACE1IMPDH2IMPDH1
SCHEMBL15459012 0.74 APP (0.39) APPBACE1IMPDH2IMPDH1SMPD1
SCHEMBL12866136 0.74 MAOB (0.56) APPIMPDH2MAOBPTGESMEN1
SCHEMBL18253692 0.73 IMPDH2 (0.41) APPBACE1IMPDH2MAOBIMPDH1
SCHEMBL15459156 0.73 APP (0.36) APPBACE1IMPDH2MAOBSMPD1
SCHEMBL12535804 0.72 APP (0.55) APPBACE1IMPDH2MAOB

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-20140039052-A1 FORMULATIONS OF LIPOPHILIC BIOACTIVE MOLECULES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2014-02-06 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-20140039052-A1 FORMULATIONS OF LIPOPHILIC BIOACTIVE MOLECULES LIPA, LIPC, CEL APP 1414/4885BACE1 1162/4885IMPDH2 2097/4885

“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.