SCHEMBL4992252

SCHEMBL4992252

CCOc1cccc(CC(CC)CC(CN)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
PPARA Q07869 2/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PPARG P37231 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL4990939 0.89 PPARA (0.53) PPARAPPARG
SCHEMBL4984233 0.88 CA1 (0.43) SMN1; SMN2PPARAPPARGCA1CA2
SCHEMBL4995033 0.88 PPARG (0.41) SMN1; SMN2PPARAMMEPPARGPTGS2
SCHEMBL4993875 0.87 CYSLTR2 (0.47) SMN1; SMN2MMEACECPA1ACE2
SCHEMBL4983819 0.86 PPARA (0.45) SMN1; SMN2PPARAPPARGCA1CA2
SCHEMBL4984013 0.85 PLA2G10 (0.44) PPARAPPARGCYP2C9
SCHEMBL4986569 0.85 ACACB (0.45) SMN1; SMN2PPARAPPARGALDH1A1CYP2C9
SCHEMBL4982906 0.83 TAAR1 (0.40) PPARAPPARG
SCHEMBL4992735 0.83 GRIA2 (0.46) KDM4ELMNA
SCHEMBL4990002 0.82 PPARG (0.45) SMN1; SMN2PPARAPPARGKDM4EALDH1A1

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 SMN1; SMN2 1368/4885PPARA 1454/4885MME 2393/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A SMN1; SMN2 1347/4885PPARA 1126/4885MME 2286/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SMN1; SMN2 1393/4885PPARA 1324/4885MME 2084/4885

“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.