SCHEMBL4987704

SCHEMBL4987704

CCC(CC(CN)C(=O)O)c1ccc(OC)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.42
PPARA Q07869 10/20 0.38
PPARD Q03181 6/20 0.38
PPARG P37231 6/20 0.38
STING1 Q86WV6 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4987486 0.89 POLB (0.40) PPARAPPARDPPARGSTING1KDM4E
SCHEMBL4985810 0.86 STING1 (0.38) PPARAPPARDPPARGSTING1KDM4E
SCHEMBL27665354 0.84 AOC3 (0.44) AOC3KDM4EHSD17B10GRIK1GRIK2
SCHEMBL4994045 0.84 AOC3 (0.44) AOC3PPARAPPARDPPARGKDM4E
SCHEMBL4986236 0.83 POLB (0.50) PPARAPPARDPPARGGAAGRIK1
SCHEMBL4983452 0.82 HSD17B10 (0.37) PPARAPPARDPPARGKDM4EHSD17B10
SCHEMBL4986463 0.82 AOC3 (0.42) AOC3PPARAPPARDSTING1KDM4E
SCHEMBL4989658 0.81 ADRA1A (0.55) PPARAPPARDHSD17B10
SCHEMBL4990738 0.81 ADRA1A (0.45) PPARAPPARDHSD17B10GAATDP1
SCHEMBL4989883 0.80 CYP1A2 (0.39) STING1GAA

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 AOC3 4541/4885PPARA 1454/4885PPARD 1357/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A AOC3 4276/4885PPARA 1126/4885PPARD 1447/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A AOC3 4350/4885PPARA 1324/4885PPARD 1355/4885

“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.