SCHEMBL6826320

SCHEMBL6826320

COc1ccc(C(C)(C)CCC=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2A6 P11509 1/20 0.42
MAPT P10636 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAOB P27338 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
AOC3 Q16853 1/20 0.39

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
SCHEMBL10549168 0.83 NQO1 (0.47) ALDH1A1TDP1MAPTCYP1A1CYP1B1
SCHEMBL2152634 0.81 ALDH1A1 (0.45) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL9858653 0.81 TSHR (0.47) ALDH1A1LMNAMAPTCA1CA2
SCHEMBL9858398 0.79 TSHR (0.43) ALDH1A1LMNATDP1CYP2A6MAPT
SCHEMBL1832904 0.78 MEN1 (0.36) LMNAMAPK1MAPTCYP1A1CYP1B1
SCHEMBL6823447 0.78 SHBG (0.52) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL1834441 0.77 TAAR1 (0.48) ALDH1A1ALOX15MAPK1MAPTKMT2A
SCHEMBL6810964 0.77 ALDH1A1 (0.51) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL6828554 0.77 CNR1 (0.39) ALDH1A1MAPK1GAAKMT2A
SCHEMBL5890023 0.74 ALDH1A1 (0.47) ALDH1A1ALOX15MAPTTRPV1GAA

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 1421/4885LMNA 4056/4885ALOX15 1852/4885

“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.