SCHEMBL4986359

SCHEMBL4986359

COc1cc(OC)c(C(C)C(C)CC(CN)C(=O)O)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
POLB P06746 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
TP53 P04637 1/20 0.34
STING1 Q86WV6 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
SCHEMBL4992642 0.86 USP2 (0.39) PTPN1POLBADRA2AADRA1AGRIK1
SCHEMBL4994844 0.85 KMT2A (0.41) POLBGRIK1GRIK2SMN1; SMN2
SCHEMBL4985239 0.85 CYP1A2 (0.39) ADRA2AADRA1A
SCHEMBL27644290 0.83 GRIK1 (0.41) PTPN1POLBGRIK1GRIK2
SCHEMBL4987855 0.83 PTGS2 (0.39) GRIK1GRIK2
SCHEMBL4989932 0.83 ADRA1A (0.45) ADRA2AADRA1ATP53
SCHEMBL4984608 0.82 PTGS2 (0.39) USP2MAPK1SMN1; SMN2TP53STING1
SCHEMBL4984485 0.81 STING1 (0.39) PTPN1POLBADRA2AADRA1ASTING1
SCHEMBL4986166 0.81 ADRA1A (0.55) ADRA2AADRA1AMAPK1
SCHEMBL4994223 0.80 KDM4E (0.40) GRIK1GRIK2STING1

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 8 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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 PTPN1 4508/4885POLB 2873/4885ADRA2A 20/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PTPN1 4620/4885POLB 2711/4885ADRA2A 20/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PTPN1 4596/4885POLB 2992/4885ADRA2A 11/4885

“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.