SCHEMBL4994595

SCHEMBL4994595

CCC(CCc1ccc(OC)c(OC)c1OC)CC(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PPARD Q03181 8/20 0.38
PPARA Q07869 8/20 0.38
PPARG P37231 5/20 0.36
ECE1 P42892 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35
STING1 Q86WV6 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
SCHEMBL4987860 0.93 AOC3 (0.40) AOC3KDM4EALDH1A1TAAR1PPARD
SCHEMBL4987950 0.90 CA12 (0.42) ALDH1A1PPARGECE1MEN1KMT2A
SCHEMBL4988106 0.88 PPARA (0.42) AOC3KDM4EALDH1A1TAAR1PPARD
SCHEMBL4990831 0.87 STING1 (0.36) KDM4EPPARDPPARAPPARGGAA
SCHEMBL4984435 0.86 AOC3 (0.43) AOC3KDM4EALDH1A1TAAR1ECE1
SCHEMBL4989725 0.83 TAAR1 (0.46) ALDH1A1TAAR1PPARDPPARAMEN1
SCHEMBL4993688 0.83 CA12 (0.40) ALDH1A1PPARAPPARGMEN1KMT2A
SCHEMBL4986008 0.83 PPARG (0.36) KDM4EALDH1A1PPARDPPARAPPARG
SCHEMBL4986869 0.83 MEN1 (0.44) MEN1KMT2A
SCHEMBL4984357 0.83 CYP1A2 (0.51) KDM4EMEN1KMT2ASTING1

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 AOC3 4541/4885KDM4E 3870/4885ALDH1A1 1484/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A AOC3 4276/4885KDM4E 3684/4885ALDH1A1 1627/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A AOC3 4350/4885KDM4E 3950/4885ALDH1A1 1424/4885

“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.