SCHEMBL4984485

SCHEMBL4984485

CCC(CC(CN)C(=O)O)c1c(OC)cc(OC)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
PTPN1 P18031 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL4990285 0.85 GRIK1 (0.41) STING1POLBGAAPPARDPPARA
SCHEMBL4989883 0.85 CYP1A2 (0.39) STING1POLBGAAADRA2AADRA1A
SCHEMBL4992642 0.83 USP2 (0.39) STING1POLBPTPN1ADRA2AADRA1A
SCHEMBL28758261 0.83 GRIK1 (0.41) POLBAKR1C3AKR1C2AKR1C1PTPN1
SCHEMBL4986341 0.83 AKR1C3 (0.43) STING1POLBGAAAKR1C3AKR1C2
SCHEMBL4990738 0.83 ADRA1A (0.45) GAAPPARDPPARAAKR1C3AKR1C2
SCHEMBL4986175 0.83 PTGS2 (0.39) PPARDPPARAAKR1C3AKR1C2
SCHEMBL4986359 0.81 PTPN1 (0.36) STING1POLBPTPN1ADRA2AADRA1A
SCHEMBL4989658 0.81 ADRA1A (0.55) PPARDPPARAAKR1C3AKR1C2AKR1C1
SCHEMBL4985810 0.80 STING1 (0.38) STING1GAAPPARDPPARATDP1

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 STING1 3395/4885POLB 2873/4885GAA 2329/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A STING1 3406/4885POLB 2711/4885GAA 2133/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A STING1 3588/4885POLB 2992/4885GAA 2307/4885

“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.