SCHEMBL4986584

SCHEMBL4986584

CCC(Cc1cc(OC)cc(OC)c1OC)CC(CN)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
PPARA Q07869 5/20 0.38
PPARD Q03181 3/20 0.38
STING1 Q86WV6 2/20 0.38
PPARG P37231 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 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
SCHEMBL4991337 0.89 PPARA (0.40) PPARAPPARDSTING1PPARG
SCHEMBL4984357 0.88 CYP1A2 (0.51) CYP1A2STING1MEN1KMT2AALOX5
SCHEMBL4989842 0.87 CYP1A2 (0.48) CYP1A2MEN1KMT2A
SCHEMBL4986704 0.86 CYP1A2 (0.49) CYP1A2PPARAPPARDSTING1MEN1
SCHEMBL4990584 0.86 PPARA (0.43) CYP1A2PPARAPPARDPPARGMEN1
SCHEMBL4986395 0.86 HSD17B10 (0.49) CYP1A2PPARAPPARDPPARGMEN1
SCHEMBL4991229 0.85 PPARA (0.41) PPARAPPARDSTING1PPARG
SCHEMBL4994015 0.84 STING1 (0.40) PPARAPPARDSTING1PPARG
SCHEMBL4991299 0.83 ALDH1A1 (0.42) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL4988106 0.82 PPARA (0.42) PPARAPPARDPPARG

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 1487/4885PPARA 1454/4885PPARD 1357/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CYP1A2 1628/4885PPARA 1126/4885PPARD 1447/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CYP1A2 1464/4885PPARA 1324/4885PPARD 1355/4885

“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.