SCHEMBL4960977

SCHEMBL4960977

COc1ccc(C=C(C)C=O)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.56
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
KDM4E B2RXH2 3/20 0.53
LMNA P02545 1/20 0.53
AMY1A P0DUB6 1/20 0.53
HTT P42858 1/20 0.53
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
GSK3B P49841 1/20 0.52
MMP1 P03956 2/20 0.52
MMP2 P08253 2/20 0.52
MMP3 P08254 2/20 0.52

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
SCHEMBL4960972 1.00 APP (0.56) APPALDH1A1HPGDL3MBTL1PDE4A
SCHEMBL14198059 0.87 AMY1A (0.57) APPALDH1A1HPGDL3MBTL1PDE4A
SCHEMBL7354893 0.85 ALDH1A1 (0.58) APPALDH1A1HPGDL3MBTL1PDE4A
SCHEMBL5362060 0.85 ALDH1A1 (0.58) APPALDH1A1HPGDL3MBTL1PDE4A
SCHEMBL5350808 0.85 ALDH1A1 (0.58) APPALDH1A1HPGDL3MBTL1PDE4A
SCHEMBL5362058 0.85 ALDH1A1 (0.58) APPALDH1A1HPGDL3MBTL1PDE4A
SCHEMBL5350800 0.85 ALDH1A1 (0.58) APPALDH1A1HPGDL3MBTL1PDE4A
SCHEMBL7356814 0.85 ALDH1A1 (0.58) APPALDH1A1HPGDL3MBTL1PDE4A
SCHEMBL18889699 0.84 SMPD1 (0.58) APPALDH1A1HPGDL3MBTL1PDE4A
SCHEMBL18889702 0.84 SMPD1 (0.58) APPALDH1A1HPGDL3MBTL1PDE4A

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 APP 116/4885ALDH1A1 3319/4885HPGD 3550/4885

“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.