SCHEMBL4990939

SCHEMBL4990939

CCC(Cc1cccc(OC)c1)CC(CN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.53
TAAR1 Q96RJ0 3/20 0.49
CYP1A2 P05177 1/20 0.46
PPARG P37231 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
CTBP2 P56545 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL4992252 0.89 SMN1; SMN2 (0.43) PPARAPPARG
SCHEMBL4983858 0.89 PPARG (0.41) PPARAPPARG
SCHEMBL4990898 0.88 TAAR1 (0.48) PPARATAAR1CYP1A2MEN1KMT2A
SCHEMBL4990786 0.86 MTNR1A (0.47) PPARATAAR1CYP1A2MEN1KMT2A
SCHEMBL4984013 0.86 PLA2G10 (0.44) PPARAPPARG
SCHEMBL4983403 0.85 TAAR1 (0.55) PPARATAAR1CYP1A2MEN1KMT2A
SCHEMBL4994059 0.85 LDHA (0.55) PPARAPPARGKMT2AGRIK1GRIK2
SCHEMBL4992735 0.84 GRIA2 (0.46) TAAR1CYP1A2
SCHEMBL4982906 0.84 TAAR1 (0.40) PPARATAAR1CYP1A2PPARGCTBP2
SCHEMBL4991239 0.82 SLC1A1 (0.51) PPARATAAR1PPARGMEN1KMT2A

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 1454/4885TAAR1 1437/4885CYP1A2 1487/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARA 1126/4885TAAR1 1172/4885CYP1A2 1628/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARA 1324/4885TAAR1 1489/4885CYP1A2 1464/4885

“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.