SCHEMBL6826541

SCHEMBL6826541

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
TRPA1 O75762 2/20 0.38
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SRC P12931 1/20 0.34
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6826539 0.85 ALDH1A1 (0.44) ALDH1A1POLBMAPTTRPA1LMNA
SCHEMBL6828546 0.80 ERN1 (0.47) ALDH1A1POLBMAPTLMNATDP1
SCHEMBL30893101 0.80 CNR1 (0.48) ALDH1A1POLBMAPTTRPA1LMNA
SCHEMBL6828510 0.78 ALDH1A1 (0.48) ALDH1A1POLBMAPTLMNATDP1
SCHEMBL29477964 0.78 CNR1 (0.47) ALDH1A1POLBMAPTTRPA1LMNA
Potassium SCHEMBL29478013 0.78 CNR1 (0.47) ALDH1A1POLBMAPTTRPA1LMNA
SCHEMBL28653162 0.77 CNR2 (0.49) ALDH1A1POLBMAPTTRPA1TP53
SCHEMBL30893091 0.75 TRPA1 (0.46) ALDH1A1POLBMAPTTRPA1LMNA
SCHEMBL4399345 0.75 TRPA1 (0.46) ALDH1A1POLBMAPTTRPA1LMNA
SCHEMBL5012934 0.75 CNR2 (0.55) CNR1CNR2

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 1421/4885POLB 3818/4885MAPT 1932/4885

“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.