SCHEMBL6828545

SCHEMBL6828545

COc1ccc(C(C)(C)CC=O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.51
TYR P14679 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
ERN1 O75460 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 3/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 3/20 0.44
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 3/20 0.40
LMNA P02545 3/20 0.40
CYP2C19 P33261 3/20 0.40
PGR P06401 2/20 0.40
SLC6A2 P23975 2/20 0.40
CYP1A1 P04798 1/20 0.40

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
SCHEMBL6828546 0.86 ERN1 (0.47) TRIM24TYRTRIM33ERN1NPC1
SCHEMBL4640510 0.79 ALDH1A1 (0.43) TRIM24TYRTRIM33ERN1NPC1
SCHEMBL12352173 0.79 ALOX15 (0.46) TYRALDH1A1CYP3A4HPGDMAPK1
SCHEMBL6826539 0.78 ALDH1A1 (0.44) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL11440351 0.77 ALDH1A1 (0.58) TRIM24TYRTRIM33ERN1NPC1
SCHEMBL4964669 0.75 HDAC8 (0.50) NPC1RAB9AALDH1A1GAAPOLB
SCHEMBL3625530 0.75 POLB (0.57) TRIM24TYRTRIM33ERN1NPC1
SCHEMBL6828509 0.74 ALDH1A1 (0.52) TRIM24TYRTRIM33ERN1NPC1
SCHEMBL2152634 0.74 ALDH1A1 (0.45) NPC1RAB9AALDH1A1CYP3A4MAPK1
SCHEMBL12352174 0.73 HPGD (0.49) TRIM24TRIM33ERN1ALDH1A1CYP3A4

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 TRIM24 1306/4885TYR 2077/4885TRIM33 2668/4885

“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.