SCHEMBL4986531

SCHEMBL4986531

CCOc1ccc(CCC(C)CC(CN)C(=O)O)c(OCC)c1OCC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.35
PTGES O14684 3/20 0.35
ALOX5 P09917 3/20 0.35
PPARD Q03181 5/20 0.34
PPARA Q07869 5/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CREBBP Q92793 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 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
SCHEMBL4984155 0.93 PPARG (0.34) PPARGPTGESALOX5PPARDPPARA
SCHEMBL4986562 0.90 PTGES (0.46) PPARGPTGESALOX5SMN1; SMN2NPC1
SCHEMBL4992860 0.88 PPARG (0.37) PPARGPTGESALOX5PPARDPPARA
SCHEMBL4989977 0.88 HSD17B10 (0.35) PPARGPTGESALOX5PPARDPPARA
SCHEMBL4986008 0.87 PPARG (0.36) PPARGPTGESALOX5PPARDPPARA
SCHEMBL4994965 0.84 ALDH1A1 (0.36) PPARGPTGESALOX5PPARDPPARA
SCHEMBL4992883 0.83 PPARG (0.41) PPARGPTGESALOX5PPARDPPARA
SCHEMBL4992692 0.83 PTGES (0.44) PPARGPTGESALOX5PPARASMN1; SMN2
SCHEMBL4986400 0.83 PPARG (0.35) PPARGPTGESALOX5PPARDPPARA
SCHEMBL4995270 0.83 PPARG (0.46) PPARGPTGESALOX5PPARDPPARA

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 1820/4885PTGES 1711/4885ALOX5 4584/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885PTGES 1056/4885ALOX5 4087/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885PTGES 1514/4885ALOX5 4324/4885

“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.