SCHEMBL4964669

SCHEMBL4964669

COc1ccc(C(C)(C)CC=O)c(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.50
MAOB P27338 1/20 0.48
ABCB1 P08183 3/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX5AP P20292 1/20 0.42
BCHE P06276 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4963465 0.84 MRGPRX4 (0.54) MAOBMAPTHTTSMN1; SMN2ALOX5AP
SCHEMBL4961791 0.84 RXRA (0.52) HTR1ADRD2MAPTGAASMN1; SMN2
SCHEMBL6887763 0.80 HDAC8 (0.53) HDAC8MAOBABCB1HTR1ADRD2
SCHEMBL4963434 0.77 HPGD (0.50) HTR1AKDM4EHTTSMN1; SMN2NPC1
SCHEMBL4960983 0.77 SMPD1 (0.49) HDAC8HTR1AKDM4EHTTSMN1; SMN2
SCHEMBL5781307 0.77 MRGPRX4 (0.47) KDM4EMAPTNPSR1SMN1; SMN2NPC1
SCHEMBL1311076 0.77 HDAC8 (0.65) HDAC8MAOBABCB1HTR1ADRD2
SCHEMBL5774987 0.76 GCK (0.47) MAOBKDM4EMAPTGAASMN1; SMN2
SCHEMBL4962864 0.75 BCHE (0.53) MAOBKDM4EMAPTGAASMN1; SMN2
SCHEMBL30189780 0.75 MAOB (0.58) HDAC8MAOBABCB1HTR1ADRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114828-B1 N-ALKYLASPARTYLDIPEPTIDE ESTER DERIVATIVES AND SWEETENERS AJINOMOTO KK (JP) 2008-03-12 EP disclosed
US-7238830-B2 N-alkylaspartyl dipeptide ester compounds AJINOMOTO CO., INC. (JP) 2007-07-03 US disclosed
US-20010039357-A1 N-alkylaspartyl dipeptide ester compounds AJINOMOTO CO., INC. (JP) 2001-11-08 US disclosed
EP-1114828-A1 N-ALKYLASPARTYLDIPEPTIDE ESTER DERIVATIVES AND SWEETENERS Ajinomoto Co., Inc. (JP) 2001-07-11 EP 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 (1 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-20010039357-A1 N-alkylaspartyl dipeptide ester compounds DNPEP, ANPEP, ASNS HDAC8 3161/4885MAOB 4585/4885ABCB1 4029/4885

“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.