SCHEMBL4988083

SCHEMBL4988083

CCOc1ccc(C(CC)CC(CN)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
PTGS2 P35354 3/20 0.44
FFAR1 O14842 1/20 0.43
PARP10 Q53GL7 1/20 0.43
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
ACACB O00763 3/20 0.41
ACACA Q13085 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G4B P0C869 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
SCHEMBL4989638 0.87 FFAR1 (0.50) AKR1C3AKR1C2FFAR1ALDH1A1CYP2C19
SCHEMBL4991472 0.86 PTGS2 (0.47) AKR1C3AKR1C2PTGS2FFAR1PARP10
SCHEMBL4989576 0.84 AKR1C3 (0.49) AKR1C3AKR1C2PTGS2PARP10CNR2
SCHEMBL4989998 0.84 PTGS2 (0.46) AKR1C3AKR1C2PTGS2FFAR1ALDH1A1
SCHEMBL4991370 0.84 TNF (0.42) PTGS2ALDH1A1TSHRNPSR1POLB
SCHEMBL4994275 0.83 PPARA (0.48) ALDH1A1POLB
SCHEMBL4990424 0.82 ESR1 (0.47) TSHRCYP2C9CYP2C19
SCHEMBL4992187 0.82 GRIK1 (0.40) AKR1C3AKR1C2FFAR1ALDH1A1TSHR
SCHEMBL4990883 0.82 AKR1C3 (0.47) AKR1C3AKR1C2PTGS2PARP10CNR2
SCHEMBL4981326 0.82 KDM4E (0.44) AKR1C3AKR1C2PTGS2FFAR1PARP10

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 AKR1C3 4710/4885AKR1C2 4233/4885PTGS2 1324/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A AKR1C3 4658/4885AKR1C2 4077/4885PTGS2 948/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A AKR1C3 4657/4885AKR1C2 4126/4885PTGS2 1173/4885

“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.