SCHEMBL4986463

SCHEMBL4986463

COc1ccc(C(C)C(C)CC(CN)C(=O)O)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.42
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
ALDH1A1 P00352 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
LDHA P00338 1/20 0.34
GRIK3 Q13003 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CYP2C19 P33261 1/20 0.33
STING1 Q86WV6 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
SCHEMBL4989075 0.89 ALDH1A1 (0.41) KDM4EHSD17B10MAPTGRIK1GRIK2
SCHEMBL4994045 0.87 AOC3 (0.44) AOC3KDM4EHSD17B10MAPTTDP1
SCHEMBL4994223 0.86 KDM4E (0.40) AOC3KDM4EHSD17B10MAPTTDP1
SCHEMBL27665583 0.84 AOC3 (0.44) AOC3KDM4EHSD17B10MAPTTDP1
SCHEMBL4990987 0.83 KMT2A (0.44) GRIK1GRIK2GRIK3
SCHEMBL4987704 0.82 AOC3 (0.42) AOC3KDM4EHSD17B10MAPTTDP1
SCHEMBL4987467 0.81 HSD17B10 (0.36) KDM4EHSD17B10ALDH1A1PPARDPPARA
SCHEMBL4989932 0.81 ADRA1A (0.45) HSD17B10ALDH1A1ADRA2AADRA1ACYP2C19
SCHEMBL4986166 0.81 ADRA1A (0.55) HSD17B10ADRA2AADRA1ACYP2C19
SCHEMBL4985239 0.80 CYP1A2 (0.39) ADRA2AADRA1ACYP2C19

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 4541/4885KDM4E 3870/4885HSD17B10 3555/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A AOC3 4276/4885KDM4E 3684/4885HSD17B10 3359/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A AOC3 4350/4885KDM4E 3950/4885HSD17B10 3509/4885

“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.