SCHEMBL4986934

SCHEMBL4986934

CCOc1cccc(OCC)c1CCCC(CC)CC(CN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GLA P06280 1/20 0.36
LTB4R Q15722 3/20 0.36
PTGES O14684 3/20 0.35
ALOX5 P09917 3/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 1/20 0.35
GRIK1 P39086 1/20 0.34
TTR P02766 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TPH1 P17752 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
GAA P10253 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
SCHEMBL4992063 0.93 L3MBTL1 (0.38) PTGS1PTGS2L3MBTL1GLALTB4R
SCHEMBL4981657 0.90 HSD17B10 (0.36) L3MBTL1PTGESALOX5PPARGPPARA
SCHEMBL4989814 0.89 GRIK1 (0.37) PTGESALOX5PPARGPPARAGRIK1
SCHEMBL4993513 0.87 PPARG (0.39) L3MBTL1GLALTB4RPTGESALOX5
SCHEMBL4992220 0.87 PPARG (0.33) PTGS2PTGESALOX5PPARGPPARA
SCHEMBL4986399 0.87 PTGS1 (0.39) PTGS1PTGS2L3MBTL1GLALTB4R
SCHEMBL4990125 0.87 PPARG (0.44) PTGS1PTGS2L3MBTL1GLAPTGES
SCHEMBL4986378 0.85 L3MBTL1 (0.39) PTGS1PTGS2L3MBTL1GLAPPARG
SCHEMBL4984438 0.85 PPARG (0.40) PTGESALOX5PPARGPPARAGRIK1
SCHEMBL4987957 0.84 GRIK1 (0.38) PTGESALOX5PPARGPPARAGRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 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 (3 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 PTGS1 1980/4885PTGS2 1324/4885L3MBTL1 2862/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PTGS1 1451/4885PTGS2 948/4885L3MBTL1 2556/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PTGS1 1866/4885PTGS2 1173/4885L3MBTL1 2799/4885

“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.