SCHEMBL4995437

SCHEMBL4995437

CCOc1ccccc1CC(C)CC(CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GLA P06280 1/20 0.42
KDM4E B2RXH2 4/20 0.40
HTR7 P34969 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CACNA1F O60840 2/20 0.39
CACNA1D Q01668 2/20 0.39
KCNH2 Q12809 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39
SLC6A3 Q01959 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
MME P08473 1/20 0.39

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
SCHEMBL4993000 0.89 PPARG (0.45) L3MBTL1MAPTNPSR1GLAKDM4E
SCHEMBL4992883 0.88 PPARG (0.41) L3MBTL1MAPTNPSR1GLAKDM4E
SCHEMBL4981494 0.87 CYP1A2 (0.46) ALDH1A1POLBKMT2AHTT
SCHEMBL4991379 0.86 L3MBTL1 (0.41) L3MBTL1MAPTNPSR1GLAKDM4E
SCHEMBL4989363 0.86 PTGS2 (0.44) L3MBTL1NPSR1GLAKDM4EALDH1A1
SCHEMBL4987661 0.85 PTGES (0.40) L3MBTL1MAPTNPSR1GLAKDM4E
SCHEMBL4986468 0.84 AKR1C3 (0.42) L3MBTL1MAPTNPSR1KDM4EALDH1A1
SCHEMBL4989329 0.84 PPARG (0.45) L3MBTL1MAPTKDM4EALDH1A1CYP2D6
SCHEMBL4987967 0.82 PPARG (0.51) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
SCHEMBL4992860 0.82 PPARG (0.37) L3MBTL1KDM4EALDH1A1CYP2D6PTGS1

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 2862/4885MAPT 908/4885NPSR1 580/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A L3MBTL1 2556/4885MAPT 745/4885NPSR1 605/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A L3MBTL1 2799/4885MAPT 1029/4885NPSR1 561/4885

“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.