SCHEMBL4987735

SCHEMBL4987735

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACACB O00763 2/20 0.40
KMT2A Q03164 1/20 0.39
PPARA Q07869 3/20 0.39
PPARG P37231 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
PARP10 Q53GL7 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
ADORA3 P0DMS8 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
SCHEMBL4984075 0.93 ACACB (0.44) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL4984018 0.89 PPARG (0.45) GRIK1ALDH1A1KMT2APPARG
SCHEMBL4988007 0.88 PPARG (0.41) GRIK1PPARAPPARG
SCHEMBL4991339 0.87 ACACB (0.43) GRIK1SMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL4983819 0.86 PPARA (0.45) GRIK1SMN1; SMN2PPARAPPARG
SCHEMBL4988171 0.85 PPARA (0.48) GRIK1PPARAPPARG
SCHEMBL4991318 0.85 PPARG (0.44) SMN1; SMN2MAPTKMT2APPARAPPARG
SCHEMBL4986569 0.85 ACACB (0.45) SMN1; SMN2ALDH1A1POLBCYP2C9CYP2C19
SCHEMBL4983416 0.85 GRIK1 (0.44) GRIK1ALDH1A1PPARAPPARG
SCHEMBL4992818 0.85 GRIK1 (0.44) GRIK1ALDH1A1CYP2C19ADORA3

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 GRIK1 413/4885SMN1; SMN2 1368/4885ALDH1A1 1484/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885SMN1; SMN2 1347/4885ALDH1A1 1627/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885SMN1; SMN2 1393/4885ALDH1A1 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.