SCHEMBL4991441

SCHEMBL4991441

CCOc1ccc(OCC)c(CCCC(C)CC(CN)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
KDM4E B2RXH2 3/20 0.36
PPARA Q07869 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
PPARD Q03181 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4995270 0.93 PPARG (0.46) PPARGPTGESALOX5MTNR1AMTNR1B
SCHEMBL4989953 0.91 TSHR (0.44) PPARGPTGESALOX5MTNR1AMTNR1B
SCHEMBL4986083 0.88 PPARG (0.44) PPARGPTGESALOX5MTNR1AMTNR1B
SCHEMBL4989329 0.86 PPARG (0.45) PPARGPTGESALOX5MTNR1AMTNR1B
SCHEMBL4985803 0.86 TSHR (0.35) PPARGPTGESALOX5MTNR1AMTNR1B
SCHEMBL4987661 0.85 PTGES (0.40) PPARGPTGESALOX5KDM4EALDH1A1
SCHEMBL4990105 0.84 MTNR1B (0.49) MTNR1AMTNR1BHSD17B10MEN1KMT2A
SCHEMBL4994168 0.84 AKR1C3 (0.41) PPARGPTGESALOX5AKR1C3AKR1C2
SCHEMBL4986508 0.83 PPARG (0.45) PPARGPTGESALOX5MTNR1AMTNR1B
SCHEMBL4984155 0.83 PPARG (0.34) PPARGPTGESALOX5MTNR1AMTNR1B

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 8 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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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.