SCHEMBL4990738

SCHEMBL4990738

CCC(CC(CN)C(=O)O)c1ccc(OC)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.45
ADRA2A P08913 1/20 0.45
BCHE P06276 1/20 0.42
TYR P14679 1/20 0.42
ACHE P22303 1/20 0.42
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
AKR1C1 Q04828 1/20 0.41
PTGS1 P23219 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
ADORA3 P0DMS8 2/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4989658 0.90 ADRA1A (0.55) ADRA1AADRA2ABCHETYRACHE
SCHEMBL4981326 0.85 KDM4E (0.44) AKR1C3AKR1C2LMNAL3MBTL1HSD17B10
SCHEMBL27665456 0.85 BCHE (0.44) ADRA1AADRA2ABCHETYRACHE
SCHEMBL4995112 0.85 ADRA1A (0.47) ADRA1AADRA2AAKR1C3AKR1C2PTGS1
SCHEMBL4986236 0.84 POLB (0.50) PPARDPPARATSHRL3MBTL1GAA
SCHEMBL4989883 0.84 CYP1A2 (0.39) ADRA1AADRA2ACYP1A2GAA
SCHEMBL4984485 0.83 STING1 (0.39) ADRA1AADRA2AAKR1C3AKR1C2AKR1C1
SCHEMBL4989932 0.82 ADRA1A (0.45) ADRA1AADRA2AAKR1C3AKR1C2PTGS1
SCHEMBL4990021 0.81 PPARA (0.42) PPARDPPARA
SCHEMBL4987704 0.81 AOC3 (0.42) PPARDPPARATDP1HSD17B10GAA

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 ADRA1A 86/4885ADRA2A 20/4885BCHE 3713/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ADRA1A 89/4885ADRA2A 20/4885BCHE 2767/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ADRA1A 85/4885ADRA2A 11/4885BCHE 3217/4885

“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.