SCHEMBL4963434

SCHEMBL4963434

COc1cc(C(C)(C)CC=O)ccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.50
APP P05067 3/20 0.47
LMNA P02545 1/20 0.47
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
BCHE P06276 1/20 0.46
HTT P42858 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER2 P43116 1/20 0.45

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
SCHEMBL4960983 0.95 SMPD1 (0.49) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7088529 0.93 KDM4E (0.44) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4963469 0.87 MRGPRX4 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4962160 0.86 MRGPRX4 (0.43) SMN1; SMN2NPC1RAB9AHTR1AADRA1D
SCHEMBL5889681 0.82 SMPD1 (0.47) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8253237 0.82 NPC1 (0.55) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7088530 0.81 KDM4E (0.45) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5781307 0.80 MRGPRX4 (0.47) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4962864 0.78 BCHE (0.53) HPGDSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3950505 0.78 PTGER4 (0.62) HPGDALDH1A1SMN1; SMN2NPC1RAB9A

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 HPGD 3550/4885ALDH1A1 3319/4885SMN1; SMN2 502/4885

“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.