SCHEMBL4989554

SCHEMBL4989554

CCC(CCc1cc(OC)cc(OC)c1)CC(CN)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
CYP19A1 P11511 1/20 0.37
PPARG P37231 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
AKR1C3 P42330 4/20 0.36
AKR1C2 P52895 4/20 0.36
AKR1C1 Q04828 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1B1 P15121 1/20 0.35
PTGS2 P35354 1/20 0.35
PTGS1 P23219 1/20 0.35
TACR1 P25103 2/20 0.34
LDHA P00338 1/20 0.34

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
SCHEMBL4983506 0.92 PTGS2 (0.39) DHODHCYP19A1PPARGPTGESALOX5
SCHEMBL4989939 0.90 PPARG (0.40) PPARGPTGESALOX5AKR1C3AKR1C2
SCHEMBL4990898 0.89 TAAR1 (0.48) MEN1KMT2A
SCHEMBL4984125 0.88 PPARG (0.46) PPARGLDHA
SCHEMBL4991387 0.87 PPARG (0.40) PPARGPTGESALOX5AKR1C3AKR1C2
SCHEMBL4983858 0.86 PPARG (0.41) PPARGPTGESALOX5AKR1C3AKR1C2
SCHEMBL4987810 0.85 AKR1B1 (0.39) DHODHCYP19A1MEN1KMT2AAKR1B1
SCHEMBL4994379 0.85 STING1 (0.37)
SCHEMBL4989788 0.84 ANPEP (0.44) PPARGAKR1C3AKR1C2
SCHEMBL4987793 0.84 PTGS2 (0.36) PTGS2

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 DHODH 1539/4885CYP19A1 4063/4885PPARG 1820/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A DHODH 2333/4885CYP19A1 4070/4885PPARG 1405/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A DHODH 1493/4885CYP19A1 4090/4885PPARG 1828/4885

“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.