SCHEMBL4963465

SCHEMBL4963465

Cc1ccc(C(C)(C)CC=O)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.54
PTGER1 P34995 3/20 0.44
PTGER4 P35408 3/20 0.44
PTGER3 P43115 3/20 0.44
PTGER2 P43116 3/20 0.44
ALOX5AP P20292 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 2/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL4961791 0.86 RXRA (0.52) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL4964669 0.84 HDAC8 (0.50) MRGPRX4ALOX5APMAPTMAOBHTT
SCHEMBL5781307 0.79 MRGPRX4 (0.47) MRGPRX4ALOX5APMAPTMAPK1TDP1
SCHEMBL6885785 0.79 PTGER1 (0.49) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL16548414 0.79 MRGPRX4 (0.53) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL4963469 0.78 MRGPRX4 (0.52) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL5774987 0.78 GCK (0.47) MRGPRX4PTGER1ALOX5APMAPTMAPK1
SCHEMBL4962160 0.77 MRGPRX4 (0.43) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL7088529 0.77 KDM4E (0.44) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL6887813 0.76 PTGER1 (0.61) MRGPRX4PTGER1PTGER4PTGER3PTGER2

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 MRGPRX4 1939/4885PTGER1 4231/4885PTGER4 3714/4885

“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.