SCHEMBL4989801

SCHEMBL4989801

COc1cccc(CCCC(C)CC(CN)C(=O)O)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
PPARA Q07869 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
HIF1A Q16665 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL4986854 0.93 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA14
SCHEMBL4991207 0.90 AOC3 (0.41) ALDH1A1PPARAKMT2AMEN1ATM
SCHEMBL4992817 0.90 TAAR1 (0.46) ALDH1A1HPGDHTT
SCHEMBL4993688 0.87 CA12 (0.40) ALDH1A1CA12CA1CA2CA14
SCHEMBL4990715 0.86 GRIK1 (0.38) CA12CA1CA2CA14PPARA
SCHEMBL4992010 0.86 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA14
SCHEMBL4992692 0.84 PTGES (0.44) ALDH1A1PPARAKMT2APTGER4PTGER3
SCHEMBL4983512 0.84 KDM4E (0.37) KMT2AMEN1ALOX5
SCHEMBL4994861 0.83 CYP1A2 (0.50) KMT2AMEN1ALOX5
SCHEMBL4987288 0.83 PPARG (0.39) PPARAALOX5PTGS2

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 ALDH1A1 1484/4885CA12 3684/4885CA1 1551/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALDH1A1 1627/4885CA12 3262/4885CA1 1216/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 1424/4885CA12 3455/4885CA1 1344/4885

“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.