SCHEMBL4987486

SCHEMBL4987486

CCC(CC(CN)C(=O)O)c1cccc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRIK3 Q13003 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
STING1 Q86WV6 1/20 0.37
NFE2L2 Q16236 2/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL4986236 0.90 POLB (0.50) POLBHTTNPSR1L3MBTL1ALDH1A1
SCHEMBL4987704 0.89 AOC3 (0.42) MAPTGRIK1GRIK2STING1PPARG
SCHEMBL4990842 0.85 L3MBTL1 (0.38) L3MBTL1ALDH1A1PPARGPPARDPPARA
SCHEMBL4989530 0.85 ALDH1A1 (0.40) POLBHTTNPSR1L3MBTL1ALDH1A1
SCHEMBL27665276 0.85 GRIK1 (0.44) POLBHTTNPSR1L3MBTL1ALDH1A1
SCHEMBL4990285 0.84 GRIK1 (0.41) POLBHTTNPSR1L3MBTL1ALDH1A1
SCHEMBL4989075 0.82 ALDH1A1 (0.41) POLBHTTNPSR1L3MBTL1ALDH1A1
SCHEMBL4985810 0.82 STING1 (0.38) MAPTGRIK1GRIK2GRIK3STING1
SCHEMBL4989883 0.81 CYP1A2 (0.39) POLBSTING1GAA
SCHEMBL4993064 0.81 PPARG (0.41) GRIK1GRIK2PPARGPPARDPPARA

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 POLB 2873/4885HTT 1941/4885NPSR1 580/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A POLB 2711/4885HTT 2001/4885NPSR1 605/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A POLB 2992/4885HTT 2005/4885NPSR1 561/4885

“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.