SCHEMBL6826539

SCHEMBL6826539

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
TRPA1 O75762 2/20 0.42
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 2/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CSNK2A1 P68400 1/20 0.35
ALOX15 P16050 3/20 0.34
CYP1A2 P05177 1/20 0.34
ATP2A2 P16615 1/20 0.34

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
SCHEMBL6826541 0.85 ALDH1A1 (0.41) ALDH1A1MAPTPOLBTRPA1LMNA
SCHEMBL12352173 0.83 ALOX15 (0.46) ALDH1A1MAPTPOLBLMNATDP1
SCHEMBL4399345 0.79 TRPA1 (0.46) ALDH1A1MAPTPOLBTRPA1LMNA
SCHEMBL30893091 0.79 TRPA1 (0.46) ALDH1A1MAPTPOLBTRPA1LMNA
SCHEMBL6828545 0.78 TRIM24 (0.51) ALDH1A1MAPTPOLBLMNATDP1
SCHEMBL29477977 0.78 TRPA1 (0.45) ALDH1A1MAPTPOLBTRPA1LMNA
SCHEMBL31108089 0.78 TRPA1 (0.45) ALDH1A1MAPTPOLBTRPA1LMNA
Potassium SCHEMBL29478014 0.78 TRPA1 (0.45) ALDH1A1MAPTPOLBTRPA1LMNA
SCHEMBL6828509 0.78 ALDH1A1 (0.52) ALDH1A1MAPTPOLBLMNATDP1
SCHEMBL5012933 0.78 TRPA1 (0.45) ALDH1A1MAPTPOLBTRPA1LMNA

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 1421/4885MAPT 1932/4885POLB 3818/4885

“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.