SCHEMBL4992811

SCHEMBL4992811

CCC(CCc1ccc(O)c(O)c1O)CC(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.35
ESR2 Q92731 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
NPY1R P25929 1/20 0.33
PTGS2 P35354 1/20 0.33
OPRD1 P41143 1/20 0.33
MTOR P42345 1/20 0.33
HK2 P52789 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
THPO P40225 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
ALPI P09923 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4988109 0.93 PRKCI (0.33) PRKCIESR2KDM4EALDH1A1ESR1
SCHEMBL4990872 0.89 IAPP (0.45) IAPP
SCHEMBL4990772 0.87 CPB2 (0.35) PRKCIESR2KDM4EALDH1A1ESR1
SCHEMBL4984156 0.86 CPB2 (0.34) KDM4ETHPOHSD17B10LMNAPOLB
SCHEMBL4986271 0.85 ESR2 (0.35) PRKCIESR2KDM4EALDH1A1ESR1
SCHEMBL4989996 0.84 EGFR (0.39) KDM4EALDH1A1CYP3A4CYP2C9THPO
SCHEMBL4993534 0.84 TYR (0.47) CYP3A4MEN1MAPTKMT2ATDP1
SCHEMBL4981775 0.83 TAAR1 (0.41) LMNA
SCHEMBL4986825 0.81 IAPP (0.43) SAE1IAPP
SCHEMBL4987313 0.81 GRIK1 (0.34) LMNATDP1CPB2

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 PRKCI 249/4885ESR2 426/4885KDM4E 3870/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PRKCI 253/4885ESR2 420/4885KDM4E 3684/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PRKCI 249/4885ESR2 440/4885KDM4E 3950/4885

“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.