SCHEMBL4963469

SCHEMBL4963469

Cc1cc(C(C)(C)CC=O)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.52
FFAR4 Q5NUL3 5/20 0.50
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RAD52 P43351 1/20 0.42

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
SCHEMBL4962160 0.91 MRGPRX4 (0.43) MRGPRX4FFAR4MAPTL3MBTL1SMN1; SMN2
SCHEMBL7088529 0.90 KDM4E (0.44) MRGPRX4MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL4963434 0.87 HPGD (0.50) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL4960983 0.87 SMPD1 (0.49) SMN1; SMN2NPC1RAB9ALMNAMAPK1
SCHEMBL5889950 0.87 MRGPRX4 (0.50) MRGPRX4FFAR4MAPTL3MBTL1SMN1; SMN2
SCHEMBL5781307 0.82 MRGPRX4 (0.47) MRGPRX4FFAR4MAPTL3MBTL1SMN1; SMN2
SCHEMBL12295554 0.81 MRGPRX4 (0.68) MRGPRX4FFAR4MAPTL3MBTL1SMN1; SMN2
SCHEMBL4962864 0.80 BCHE (0.53) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL4704085 0.79 FFAR4 (0.63) MRGPRX4FFAR4MAPTL3MBTL1SMN1; SMN2
SCHEMBL4963465 0.78 MRGPRX4 (0.54) MRGPRX4FFAR4MAPTL3MBTL1SMN1; SMN2

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 19 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-7115296-B2 N-alkylaspartyl amide derivative and sweetening agent AJINOMOTO CO., INC. (JP) 2006-10-03 US disclosed
US-6761922-B2 MIXING AN ASPARTYL DIPEPTIDE ESTER COMPOUND OR SALT WITH A SOLID FILLER SELECTED FROM SUGAR, SUGAR ALCOHOL, OLIGOSACCHARIDE AND POLYSACCHARIDE AJINOMOTO CO., INC. (JP) 2004-07-13 US disclosed
US-20040105928-A1 Sweetener compositions and uses thereof AJINOMOTO CO. INC (JP) 2004-06-03 US disclosed
US-20040071851-A1 Novel N-alkylaspartyl amide derivative and sweetening agent AJINOMOTO CO. INC (JP) 2004-04-15 US disclosed
US-6689902-B2 REDUCTIVE ALKYLATION AJINOMOTO CO., INC. (JP) 2004-02-10 US disclosed
US-6652901-B2 Sweetener compositions and uses thereof AJINOMOTO CO., INC. (JP) 2003-11-25 US disclosed
CN-1407991-A Solid sweetener composition, liquid sweetener composition, and use thereof AJINOMOTO KK (JP) 2003-04-02 CN disclosed
US-20030059511-A1 Sweetener compositions and uses thereof AJINOMOTO CO., INC. (JP) 2003-03-27 US disclosed
US-20030044502-A1 Sweetener compositions containing aspartyl dipeptide ester compounds AJINOMOTO CO. INC (JP) 2003-03-06 US disclosed
US-20030032842-A1 Novel arylpropyl aldehyde derivatives, processes for producing the same, and methods of using the same AJINOMOTO CO., INC. (JP) 2003-02-13 US disclosed
CN-1395551-A Novel arylpropionaldehyde derivatives and production and use of the same AJINOMOTO KK (JP) 2003-02-05 CN disclosed
CN-1378557-A Sweetener compositions with high degree of sweeteness having improved sweeteness, corrigents and utilization thereof AJINOMOTO KK (JP) 2002-11-06 CN disclosed
EP-1249442-A1 NOVEL ARYLPROPIONALDEHYDE DERIVATIVES AND PRODUCTION AND USE OF THE SAME Ajinomoto Co., Inc. (JP) 2002-10-16 EP disclosed
EP-1223175-A1 SOLID SWEETENER COMPOSITIONS, LIQUID SWEETENER COMPOSITIONS AND UTILIZATION THEREOF Ajinomoto Co., Inc. (JP) 2002-07-17 EP disclosed
EP-1221448-A1 SWEETENER COMPOSITIONS WITH HIGH DEGREE OF SWEETNESS HAVING IMPROVED SWEETNESS, CORRIGENTS AND UTILIZATION THEREOF Ajinomoto Co., Inc. (JP) 2002-07-10 EP 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 (2 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 1939/4885FFAR4 1237/4885MAPT 1623/4885
US-20030032842-A1 Novel arylpropyl aldehyde derivatives, processes for producing the same, and methods of using the same ALDH7A1, ASPH, DDC MRGPRX4 2055/4885FFAR4 386/4885MAPT 3239/4885

“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.