SCHEMBL11911399

SCHEMBL11911399

CCCCCCCC/C=C\C#CC#Cc1ccco1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.39
FAAH O00519 3/20 0.37
CES1 P23141 1/20 0.33
ALOX5 P09917 1/20 0.32

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
SCHEMBL11894515 0.82 HMGCR (0.43) HMGCR
SCHEMBL2587903 0.82 HMGCR (0.43) HMGCR
SCHEMBL2585839 0.82 HMGCR (0.43) HMGCR
SCHEMBL2585837 0.82 HMGCR (0.43) HMGCR
SCHEMBL1047023 0.82 HMGCR (0.43) HMGCR
SCHEMBL11895091 0.81 ALDH1A1 (0.38) HMGCRFAAHALOX5
SCHEMBL11895089 0.81 ALDH1A1 (0.38) HMGCRFAAHALOX5
Potassium Ion SCHEMBL1077457 0.80 FABP3 (0.39) HMGCRFAAHALOX5
Potassium SCHEMBL2593640 0.74 KCNH2 (0.42) HMGCRALOX5
SCHEMBL11912386 0.72 HMGCR (0.45) HMGCR

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-8722910-B2 Diyne compositions EVOLVA AG (CH) 2014-05-13 US disclosed
US-20120196822-A1 Diyne Compositions EVOLVA AG (CH) 2012-08-02 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-20120196822-A1 Diyne Compositions OSR1, ERG28, OSBPL3 HMGCR 2007/4885FAAH 2740/4885CES1 834/4885

“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.