SCHEMBL4992844

SCHEMBL4992844

CCOc1ccc(OCC)c(OCC)c1CC(CC)CC(CN)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.37
PPARD Q03181 4/20 0.37
PPARA Q07869 4/20 0.37
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CPB2 Q96IY4 1/20 0.35
CREBBP Q92793 1/20 0.35
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
GLA P06280 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL4992658 0.89 PPARG (0.35) PPARGPPARDPPARAHSD17B10SMN1; SMN2
SCHEMBL4987718 0.89 TSHR (0.40) PPARGPPARDPPARAHSD17B10SMN1; SMN2
SCHEMBL4986378 0.88 L3MBTL1 (0.39) PPARGPPARDPPARAHSD17B10SMN1; SMN2
SCHEMBL4981657 0.87 HSD17B10 (0.36) PPARGPPARDPPARAHSD17B10SMN1; SMN2
SCHEMBL4989803 0.87 TSHR (0.39) PPARGPPARDPPARAHSD17B10SMN1; SMN2
SCHEMBL4986149 0.87 PPARG (0.39) PPARGPPARDPPARAHSD17B10SMN1; SMN2
SCHEMBL4989942 0.86 HSD17B10 (0.36) PPARGPPARDPPARAHSD17B10SMN1; SMN2
SCHEMBL4993168 0.84 CPB2 (0.36) PPARGPPARDPPARACPB2NPSR1
SCHEMBL4992933 0.83 PPARG (0.44) PPARGPPARDPPARASMN1; SMN2NPC1
SCHEMBL4986008 0.82 PPARG (0.36) PPARGPPARDPPARAHSD17B10SMN1; SMN2

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 PPARG 1820/4885PPARD 1357/4885PPARA 1454/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885PPARD 1447/4885PPARA 1126/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885PPARD 1355/4885PPARA 1324/4885

“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.