SCHEMBL13779261

SCHEMBL13779261

CCCc1cccc(C(OCC)OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
PTGS2 P35354 1/20 0.35
KIF11 P52732 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ALOX5 P09917 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 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
SCHEMBL2140985 0.86 CYP4F2 (0.44) BCHEACHEPTGS2ALOX5
SCHEMBL8906121 0.83 CYP4A11 (0.51) BCHEACHEPTGS2LPLLIPG
SCHEMBL16399016 0.82 ENPP2 (0.39) BCHEACHEPTGS2
SCHEMBL16400342 0.82 TRPA1 (0.35) BCHEACHEPTGS2
SCHEMBL8906117 0.79 CYP4F2 (0.50) BCHEACHEPTGS2
SCHEMBL2142430 0.79 CA1 (0.36) BCHEACHEPTGS2
SCHEMBL11207181 0.77 CNR1 (0.39) CNR1CNR2KIF11GRIN2DGRIN3B
SCHEMBL11797022 0.77 CTSS (0.43) CNR1CNR2BCHEKIF11GRIN2D
SCHEMBL3126542 0.77 ACHE (0.46) BCHEACHEPTGS2LPLLIPG
SCHEMBL7926083 0.76 AOC3 (0.44) BCHEACHEPTGS2

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-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2009-07-02 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-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 CNR1 3910/4885CNR2 4252/4885BCHE 3570/4885

“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.