SCHEMBL4987532

SCHEMBL4987532

CCOc1ccc(CC(C)CC(CN)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.49
PPARA Q07869 2/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL26076524 0.87 PPARA (0.51) ACACBPPARAALDH1A1POLBCYP2C9
SCHEMBL4987841 0.87 ACACB (0.47) ACACBALDH1A1POLBCYP2C9CYP2C19
SCHEMBL4994208 0.86 PTGS2 (0.43) ACACBPPARA
SCHEMBL4990957 0.86 LDHA (0.58) PPARACYP2C19
SCHEMBL4986569 0.85 ACACB (0.45) ACACBPPARAALDH1A1POLBCYP2C9
SCHEMBL4991339 0.85 ACACB (0.43) ACACBPPARAALDH1A1POLBCYP2C9
SCHEMBL4993875 0.85 CYSLTR2 (0.47) ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL4983817 0.83 PPARG (0.46) PPARAALDH1A1POLBCYP2C9CYP2C19
SCHEMBL4994176 0.82 PPARA (0.54) ACACBPPARA
SCHEMBL4990096 0.81 SLC7A5 (0.51)

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 ACACB 3202/4885PPARA 1454/4885ALDH1A1 1484/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ACACB 2053/4885PPARA 1126/4885ALDH1A1 1627/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ACACB 2884/4885PPARA 1324/4885ALDH1A1 1424/4885

“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.