SCHEMBL4990094

SCHEMBL4990094

CC(Cc1ccc(O)c(O)c1)CC(CN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.55
KDM4E B2RXH2 7/20 0.55
HSD17B10 Q99714 6/20 0.55
HIF1A Q16665 5/20 0.55
RECQL P46063 5/20 0.55
TDP1 Q9NUW8 5/20 0.55
USP2 O75604 3/20 0.55
PTGS2 P35354 3/20 0.55
ADORA3 P0DMS8 2/20 0.55
HTR2A P28223 2/20 0.55
EGFR P00533 2/20 0.55
FYN P06241 2/20 0.55
SLC7A5 Q01650 2/20 0.55
LCK P06239 1/20 0.55
PTGS1 P23219 1/20 0.55
KDM6B O15054 1/20 0.53
ALOX12 P18054 5/20 0.50
BLM P54132 5/20 0.50
PMP22 Q01453 5/20 0.50
HPGD P15428 4/20 0.50

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
SCHEMBL4994043 0.87 KDM4E (0.47) ALOX15KDM4EHSD17B10HIF1ARECQL
SCHEMBL4993998 0.85 ALOX15 (0.46) ALOX15KDM4EHSD17B10HIF1ARECQL
SCHEMBL4990096 0.84 SLC7A5 (0.51) SLC7A5ESR1CYP1A2SLC6A2OPRK1
SCHEMBL4990056 0.83 KDM4E (0.52) ALOX15KDM4EHSD17B10HIF1ARECQL
SCHEMBL4985963 0.83 PSMB8 (0.40) TDP1ACE
SCHEMBL4987309 0.82 MME (0.40) PTGS2PTGS1MMEACE
SCHEMBL4989957 0.82 GRIA2 (0.48) KDM4EHIF1ALMNACYP1A2DRD2
SCHEMBL4983468 0.82 PNMT (0.50) MEN1KMT2ATSHR
SCHEMBL4987946 0.81 CYP1A2 (0.41) PTGS2HTR2APTGS1BLMPMP22
SCHEMBL4989063 0.81 ANPEP (0.35) SLC7A5CYP1A2HSP90AB1

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 ALOX15 4381/4885KDM4E 3870/4885HSD17B10 3555/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALOX15 3853/4885KDM4E 3684/4885HSD17B10 3359/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALOX15 4104/4885KDM4E 3950/4885HSD17B10 3509/4885

“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.