SCHEMBL5583715

SCHEMBL5583715

CC(C)(CC=O)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CMA1 P23946 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
CYP3A4 P08684 4/20 0.40
ATM Q13315 1/20 0.40
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
GABRA1 P14867 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39
KDR P35968 1/20 0.39
GABRB2 P47870 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
KIF11 P52732 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL30553746 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1CMA1TRPV1
SCHEMBL30553748 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1CMA1TRPV1
SCHEMBL8738575 0.80 MAPT (0.42) ALDH1A1CMA1CYP3A4ATMPGR
SCHEMBL1744766 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10TDP1CMA1TRPV1
SCHEMBL7407895 0.78 TAAR1 (0.47) ALDH1A1CMA1CYP3A4ATMPGR
SCHEMBL21346938 0.78 SHBG (0.44) ALDH1A1CMA1CYP3A4ATMPGR
SCHEMBL1746001 0.78 CYP3A4 (0.46) ALDH1A1TRPV1CYP3A4PGRAR
SCHEMBL22763282 0.77 CMA1 (0.42) ALDH1A1CMA1TRPV1CYP3A4ATM
SCHEMBL18649452 0.77 DRD3 (0.42) ALDH1A1CMA1TRPV1CYP3A4ATM
SCHEMBL29043606 0.76 ALDH1A1 (0.47) ALDH1A1TRPV1CYP3A4CYP1A2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116284174-A Electronic cigarette sweetener, production process and application 昆山亚香香料股份有限公司 2023-06-23 CN claimed
CN-116284174-A Electronic cigarette sweetener, production process and application 昆山亚香香料股份有限公司 2023-06-23 CN disclosed
US-7238830-B2 N-alkylaspartyl dipeptide ester compounds AJINOMOTO CO., INC. (JP) 2007-07-03 US disclosed
US-20040230073-A1 Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof AJINOMOTO CO., INC. (JP) 2004-11-18 US disclosed
US-20020132032-A1 Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof AJINOMOTO CO., INC. (JP) 2002-09-19 US disclosed
EP-1219633-A1 PROCESS FOR PRODUCING ASPARTAME DERIVATIVE, CRYSTALS THEREOF, NOVEL PRODUCTION INTERMEDIATES THEREFOR AND PROCESS FOR PRODUCING THE INTERMEDIATE Ajinomoto Co., Inc. (JP) 2002-07-03 EP disclosed
US-20010039357-A1 N-alkylaspartyl dipeptide ester compounds AJINOMOTO CO., INC. (JP) 2001-11-08 US 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 ALDH1A1 3319/4885HSD17B10 3181/4885TDP1 741/4885
US-20040230073-A1 Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof IAPP, DPP4, SI ALDH1A1 1421/4885HSD17B10 572/4885TDP1 3199/4885

“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.