SCHEMBL4992883

SCHEMBL4992883

CCOc1ccccc1CCC(C)CC(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
PTGES O14684 2/20 0.41
ALOX5 P09917 2/20 0.41
L3MBTL1 Q9Y468 5/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HTR7 P34969 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ATM Q13315 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PLEC Q15149 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4987661 0.93 PTGES (0.40) PPARGPTGESALOX5L3MBTL1MAPT
SCHEMBL4986562 0.90 PTGES (0.46) PPARGPTGESALOX5L3MBTL1MAPT
SCHEMBL4995437 0.88 L3MBTL1 (0.42) PPARGPTGESALOX5L3MBTL1MAPT
SCHEMBL4986630 0.88 TAAR1 (0.48) KDM4EALDH1A1KMT2APOLBMEN1
SCHEMBL4988182 0.87 PPARG (0.40) PPARGPTGESALOX5L3MBTL1MAPT
SCHEMBL4989221 0.86 PTGS1 (0.40) PPARGPTGESALOX5L3MBTL1NPSR1
SCHEMBL4995270 0.85 PPARG (0.46) PPARGPTGESALOX5L3MBTL1MAPT
SCHEMBL4994168 0.85 AKR1C3 (0.41) PPARGPTGESALOX5L3MBTL1MAPT
SCHEMBL4989092 0.83 PPARG (0.47) PPARGPTGESALOX5
SCHEMBL4986531 0.83 PPARG (0.35) PPARGPTGESALOX5L3MBTL1NPSR1

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.