SCHEMBL4989168

SCHEMBL4989168

CCC(Cc1ccccc1OC)CC(CN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.48
ALDH1A1 P00352 2/20 0.47
PPARD Q03181 5/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
PPARG P37231 5/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRIK3 Q13003 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4991299 0.89 ALDH1A1 (0.42) PPARAALDH1A1PPARDPPARGMEN1
SCHEMBL4991379 0.89 L3MBTL1 (0.41) PPARAPPARDPPARGKMT2AHTT
SCHEMBL4989725 0.88 TAAR1 (0.46) PPARAALDH1A1PPARDTSHRGRIK1
SCHEMBL4986403 0.86 PPARA (0.39) PPARAALDH1A1PPARDPPARGGRIK1
SCHEMBL4984028 0.85 TSHR (0.44) PPARAALDH1A1PPARDTSHRTAAR1
SCHEMBL4990897 0.85 PPARG (0.54) PPARAPPARDPPARG
SCHEMBL4981494 0.84 CYP1A2 (0.46) PPARAALDH1A1PPARDCYP1A2CYP2C9
SCHEMBL4990584 0.84 PPARA (0.43) PPARAPPARDCYP1A2CYP2C9PPARG
SCHEMBL4986395 0.84 HSD17B10 (0.49) PPARAPPARDCYP1A2CYP2C9PPARG
SCHEMBL4987943 0.83 AKR1B1 (0.40) CYP1A2PPARGTAAR1

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 PPARA 1454/4885ALDH1A1 1484/4885PPARD 1357/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARA 1126/4885ALDH1A1 1627/4885PPARD 1447/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARA 1324/4885ALDH1A1 1424/4885PPARD 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.