SCHEMBL4985239

SCHEMBL4985239

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
ADRA1A P35348 2/20 0.38
ADRA2A P08913 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA3 P0DMS8 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
SCHEMBL4983551 0.88 CYP1A2 (0.40) CYP1A2ADRA1AADRA2AMEN1KMT2A
SCHEMBL27644169 0.85 MEN1 (0.39) CYP1A2MEN1KMT2A
SCHEMBL4986359 0.85 PTPN1 (0.36) ADRA1AADRA2A
SCHEMBL4986166 0.84 ADRA1A (0.55) CYP1A2ADRA1AADRA2AMEN1KMT2A
SCHEMBL4989932 0.84 ADRA1A (0.45) CYP1A2ADRA1AADRA2ALMNATSHR
SCHEMBL4989883 0.83 CYP1A2 (0.39) CYP1A2ADRA1AADRA2AMEN1KMT2A
SCHEMBL4989075 0.81 ALDH1A1 (0.41) MEN1KMT2A
SCHEMBL4986463 0.80 AOC3 (0.42) ADRA1AADRA2ACYP2C19
SCHEMBL4994058 0.80 TSHR (0.39) MEN1KMT2ALMNATSHR
SCHEMBL4987855 0.79 PTGS2 (0.39) CYP1A2MEN1KMT2ATSHR

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 CYP1A2 1487/4885ADRA1A 86/4885ADRA2A 20/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CYP1A2 1628/4885ADRA1A 89/4885ADRA2A 20/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CYP1A2 1464/4885ADRA1A 85/4885ADRA2A 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.