SCHEMBL4962147

SCHEMBL4962147

CC(=CC=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.68
NR4A2 P43354 2/20 0.62
SMPD1 P17405 1/20 0.57
SRD5A2 P31213 1/20 0.56
MAOA P21397 4/20 0.55
PTPN1 P18031 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CDK4 P11802 1/20 0.53
CCNB1 P14635 1/20 0.53
CCND1 P24385 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
HPD P32754 1/20 0.51

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
SCHEMBL4962142 1.00 MAOB (0.68) MAOBNR4A2SMPD1SRD5A2MAOA
SCHEMBL27555939 0.84 MAOB (0.65) MAOBNR4A2SRD5A2MAOA
SCHEMBL3658111 0.83 MAOB (0.72) MAOBNR4A2SMPD1SRD5A2MAOA
SCHEMBL3658115 0.83 MAOB (0.72) MAOBNR4A2SMPD1SRD5A2MAOA
SCHEMBL3658118 0.83 MAOB (0.72) MAOBNR4A2SMPD1SRD5A2MAOA
SCHEMBL68983 0.81 MAOB (1.00) MAOBNR4A2SMPD1SRD5A2MAOA
SCHEMBL2498879 0.80 MAOB (0.67) MAOBNR4A2SMPD1SRD5A2MAOA
SCHEMBL2498872 0.80 MAOB (0.67) MAOBNR4A2SMPD1SRD5A2MAOA
SCHEMBL4961176 0.78 FFAR4 (0.52) MAOBSMPD1PTPN1CCNB2CDK1
SCHEMBL4961172 0.78 FFAR4 (0.52) MAOBSMPD1PTPN1CCNB2CDK1

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 MAOB 4585/4885NR4A2 3653/4885SMPD1 1546/4885

“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.