SCHEMBL4986236

SCHEMBL4986236

CCC(CC(CN)C(=O)O)c1ccccc1OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
GRIK3 Q13003 1/20 0.43
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PPARA Q07869 7/20 0.40
PPARD Q03181 3/20 0.40
PPARG P37231 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
CTSD P07339 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4989763 0.90 L3MBTL1 (0.44) POLBHTTNPSR1L3MBTL1KMT2A
SCHEMBL4987486 0.90 POLB (0.40) POLBHTTNPSR1L3MBTL1GRIK1
SCHEMBL4990285 0.86 GRIK1 (0.41) POLBHTTNPSR1L3MBTL1GRIK1
SCHEMBL4987687 0.86 PPARG (0.46) POLBHTTNPSR1L3MBTL1GRIK1
SCHEMBL4990738 0.84 ADRA1A (0.45) L3MBTL1PPARAPPARDGAATSHR
SCHEMBL4989658 0.84 ADRA1A (0.55) KMT2APPARAPPARDTSHR
SCHEMBL4991102 0.83 TSHR (0.45) POLBGRIK1GRIK2KMT2AALDH1A1
SCHEMBL4990884 0.83 PPARG (0.39) GRIK1GRIK2KMT2AALDH1A1PPARA
SCHEMBL4990418 0.83 KMT2A (0.46) POLBHTTNPSR1L3MBTL1GRIK1
SCHEMBL4987704 0.83 AOC3 (0.42) GRIK1GRIK2PPARAPPARDPPARG

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.