SCHEMBL4986341

SCHEMBL4986341

CCC(CC(CN)C(=O)O)c1cc(OC)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.43
AKR1C2 P52895 7/20 0.43
AKR1C1 Q04828 2/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1C4 P17516 1/20 0.43
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
PPARG P37231 1/20 0.36
FFAR1 O14842 1/20 0.36
POLB P06746 1/20 0.36
RXRA P19793 1/20 0.36
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
STING1 Q86WV6 1/20 0.35
TNF P01375 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
SCHEMBL4991472 0.87 PTGS2 (0.47) AKR1C3AKR1C2PTGS2PPARGFFAR1
SCHEMBL4989684 0.87 L3MBTL1 (0.48) AKR1C3AKR1C2AKR1C1PTGS1FFAR1
SCHEMBL4989638 0.86 FFAR1 (0.50) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL4989823 0.84 PPARG (0.41) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL4984485 0.83 STING1 (0.39) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL28758258 0.82 SLC1A3 (0.42) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL4987032 0.82 PTGS2 (0.41) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL4990974 0.82 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2GAAFFAR1
SCHEMBL11271490 0.82 STING1 (0.40) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL4986183 0.81 FOLH1 (0.37) AKR1C3AKR1C2GAAPOLBGRIK1

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 4233/4885AKR1C1 4402/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A AKR1C3 4658/4885AKR1C2 4077/4885AKR1C1 4326/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A AKR1C3 4657/4885AKR1C2 4126/4885AKR1C1 4361/4885

“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.