SCHEMBL13799306

SCHEMBL13799306

CC(=O)SCCCCCCCCCCCOCCOCCOCCOc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.50
GAA P10253 1/20 0.46
LTA4H P09960 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RARB P10826 2/20 0.44
APP P05067 1/20 0.43
PLA2G4B P0C869 2/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RARA P10276 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL14384733 0.89 GAA (0.46) GAAL3MBTL1RARBAPPPLA2G4B
SCHEMBL13799315 0.86 PLA2G4B (0.47) GAARARBPLA2G4B
SCHEMBL13799305 0.86 MAOB (0.50) L3MBTL1
SCHEMBL13799314 0.81 PLA2G4B (0.40) GAAL3MBTL1RARBPLA2G4B
SCHEMBL5054847 0.79 HDAC1 (0.54) GAAL3MBTL1
SCHEMBL30917919 0.78 CES2 (0.42) GAATSHR
SCHEMBL14566123 0.77 NR5A1 (0.83) NR5A1GAALTA4HRARBAPP
SCHEMBL840786 0.77 NR5A1 (0.83) NR5A1GAALTA4HRARBAPP
SCHEMBL10357881 0.77 NR5A1 (0.83) NR5A1GAALTA4HRARBAPP
SCHEMBL840785 0.77 NR5A1 (0.83) NR5A1GAALTA4HRARBAPP

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-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 US disclosed
US-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 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-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STUB1, SPR, DBI NR5A1 2146/4885GAA 1805/4885LTA4H 3319/4885

“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.