SCHEMBL6828510

SCHEMBL6828510

CC(C)(CCC=O)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 2/20 0.48
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CA2 P00918 4/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6828509 0.81 ALDH1A1 (0.52) ALDH1A1TDP1TSHRTRIM24TRIM33
SCHEMBL6826541 0.78 ALDH1A1 (0.41) ALDH1A1TDP1LMNAMAPTGAA
SCHEMBL983814 0.77 ALDH1A1 (0.56) ALDH1A1TDP1TSHRNR3C1PGR
SCHEMBL18121309 0.77 ALDH1A1 (0.56) ALDH1A1TDP1TSHRTRIM24TRIM33
SCHEMBL11497885 0.75 ALDH1A1 (0.58) ALDH1A1TDP1TSHRTRIM24TRIM33
SCHEMBL6828546 0.74 ERN1 (0.47) ALDH1A1TDP1TSHRTRIM24TRIM33
SCHEMBL28124983 0.74 ALDH1A1 (0.52) ALDH1A1TDP1TSHRNR3C1PGR
SCHEMBL980190 0.74 TSHR (0.52) ALDH1A1TDP1TSHRNR3C1PGR
SCHEMBL10410451 0.74 TSHR (0.47) ALDH1A1TDP1TSHRNR3C1PGR
SCHEMBL1834441 0.73 TAAR1 (0.48) ALDH1A1MAPTHTTHIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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 1421/4885TDP1 3199/4885TSHR 4663/4885

“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.