SCHEMBL6735216

SCHEMBL6735216

O=CC=Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.70
CCND1 P24385 3/20 0.70
CCNB2 O95067 2/20 0.70
CDK1 P06493 2/20 0.70
CCNB1 P14635 2/20 0.70
CCNB3 Q8WWL7 2/20 0.70
HDAC8 Q9BY41 1/20 0.55
PTPN1 P18031 4/20 0.54
ALOX5 P09917 1/20 0.53
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LCK P06239 1/20 0.48
IP6K1 Q92551 1/20 0.46
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
TOP1 P11387 1/20 0.46

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
SCHEMBL4622268 0.90 HDAC8 (0.68) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL4622274 0.90 HDAC8 (0.68) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7228424 0.90 CCNB2 (0.61) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7228421 0.90 CCNB2 (0.61) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL865350 0.86 MAOA (0.58) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL6735219 0.86 HDAC8 (0.53) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7229340 0.84 CDK4 (0.68) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7229336 0.84 CDK4 (0.68) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7909151 0.83 PTGER3 (0.68) HDAC8PTPN1PTGER1PTGER4PTGER3
SCHEMBL7191225 0.83 PTGER3 (0.68) HDAC8PTPN1PTGER1PTGER4PTGER3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6652901-B2 Sweetener compositions and uses thereof AJINOMOTO CO., INC. (JP) 2003-11-25 US disclosed
US-6649784-B2 Reductive alkylation of aspartame with aldehyde AJINOMOTO CO., INC. (JP) 2003-11-18 US disclosed
US-20030065210-A1 Aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO CO. INC. (JP) 2003-04-03 US 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
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

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-20030065210-A1 Aspartyl dipeptide ester derivatives and sweeteners DNPEP, DPP4, DPP3 CDK4 1817/4885CCND1 3470/4885CCNB2 4728/4885

“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.