SCHEMBL4989883

SCHEMBL4989883

CCC(CC(CN)C(=O)O)c1cc(OC)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
STING1 Q86WV6 2/20 0.39
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.35
GAA P10253 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
SCHEMBL4983551 0.85 CYP1A2 (0.40) CYP1A2ADRA2AADRA1AMEN1KMT2A
SCHEMBL27665259 0.85 MEN1 (0.39) CYP1A2MEN1KMT2APOLBMAPK1
SCHEMBL4984485 0.85 STING1 (0.39) STING1ADRA2AADRA1APOLBGAA
SCHEMBL4989658 0.84 ADRA1A (0.55) CYP1A2ADRA2AADRA1AMEN1KMT2A
SCHEMBL4990738 0.84 ADRA1A (0.45) CYP1A2ADRA2AADRA1AGAA
SCHEMBL4985239 0.83 CYP1A2 (0.39) CYP1A2ADRA2AADRA1AMEN1KMT2A
SCHEMBL4987486 0.81 POLB (0.40) STING1POLBGAA
SCHEMBL4990602 0.81 TSHR (0.40) MEN1KMT2AGAA
SCHEMBL4987704 0.80 AOC3 (0.42) STING1GAA
SCHEMBL4986584 0.80 CYP1A2 (0.47) CYP1A2STING1MEN1KMT2A

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 1487/4885STING1 3395/4885ADRA2A 20/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CYP1A2 1628/4885STING1 3406/4885ADRA2A 20/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CYP1A2 1464/4885STING1 3588/4885ADRA2A 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.