SCHEMBL4990702

SCHEMBL4990702

CC(Cc1ccc(O)c(O)c1O)CC(CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 3/20 0.35
THPO P40225 3/20 0.35
HSD17B10 Q99714 3/20 0.35
ESR2 Q92731 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
ESR1 P03372 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
NPY1R P25929 1/20 0.35
PTGS2 P35354 1/20 0.35
OPRD1 P41143 1/20 0.35
MTOR P42345 1/20 0.35
HK2 P52789 1/20 0.35
PMP22 Q01453 4/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 3/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL4989911 0.87 IAPP (0.41) ANPEPRNPEPDNPEPELANECTSG
SCHEMBL4986271 0.87 ESR2 (0.35) KDM4EALDH1A1THPOHSD17B10ESR2
SCHEMBL4985022 0.85 GRIK1 (0.35) KDM4EALDH1A1THPOHSD17B10ESR2
SCHEMBL4981468 0.84 ADRA2A (0.34) KDM4ETHPOHSD17B10CYP3A4CYP2C9
SCHEMBL4990772 0.83 CPB2 (0.35) KDM4EALDH1A1THPOHSD17B10ESR2
SCHEMBL4990144 0.82 MEN1 (0.41) KDM4EALDH1A1THPOHSD17B10CYP3A4
SCHEMBL4981495 0.82 TDP1 (0.39) KDM4EALDH1A1THPOHSD17B10CYP3A4
SCHEMBL4995234 0.81 AKR1B1 (0.42) CYP3A4POLBANPEPRNPEPDNPEP
SCHEMBL4985851 0.79 USP2 (0.36) KDM4EALDH1A1THPOHSD17B10CYP3A4
SCHEMBL4993700 0.77 CPB2 (0.33) KDM4ETHPOHSD17B10PMP22LMNA

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 KDM4E 3870/4885ALDH1A1 1484/4885THPO 3204/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A KDM4E 3684/4885ALDH1A1 1627/4885THPO 3162/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A KDM4E 3950/4885ALDH1A1 1424/4885THPO 3445/4885

“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.