SCHEMBL4986378

SCHEMBL4986378

CCOc1cccc(OCC)c1CC(CC)CC(CN)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
TTR P02766 1/20 0.37
CPB2 Q96IY4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
TPH1 P17752 1/20 0.35
GAA P10253 2/20 0.34
PPARG P37231 4/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4986403 0.88 PPARA (0.39) KMT2APPARGPPARDPPARAALDH1A1
SCHEMBL4992844 0.88 PPARG (0.37) L3MBTL1GLACPB2KDM4EPPARG
SCHEMBL4992063 0.88 L3MBTL1 (0.38) L3MBTL1GLAPTGS1PTGS2TTR
SCHEMBL4989712 0.86 CPB2 (0.35) PTGS2CPB2KDM4EPPARGPPARD
SCHEMBL4991379 0.86 L3MBTL1 (0.41) L3MBTL1GLAKDM4EKMT2APPARG
SCHEMBL4989363 0.86 PTGS2 (0.44) L3MBTL1GLAPTGS1PTGS2TTR
SCHEMBL4992933 0.85 PPARG (0.44) L3MBTL1GLAPTGS1PTGS2TTR
SCHEMBL4986934 0.85 PTGS1 (0.36) L3MBTL1GLAPTGS1PTGS2TTR
SCHEMBL4986496 0.84 PPARG (0.45) CPB2PPARGPPARDPPARAKCNK3
SCHEMBL4987718 0.84 TSHR (0.40) CPB2KMT2AGAAPPARGPPARD

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 L3MBTL1 2862/4885GLA 1901/4885PTGS1 1980/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A L3MBTL1 2556/4885GLA 1414/4885PTGS1 1451/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A L3MBTL1 2799/4885GLA 1869/4885PTGS1 1866/4885

“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.