SCHEMBL6823447

SCHEMBL6823447

CC(C)(CCC=O)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.52
ESR1 P03372 13/20 0.50
ESR2 Q92731 12/20 0.50
CYP3A4 P08684 3/20 0.45
ESRRG P62508 2/20 0.45
LMNA P02545 1/20 0.45
TYR P14679 1/20 0.45
AR P10275 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR6 P50406 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ESRRB O95718 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1637411 0.85 ESR1 (0.58) SHBGESR1ESR2CYP3A4ESRRG
SCHEMBL9858653 0.84 TSHR (0.47) LMNATYRTSHRALDH1A1MEN1
SCHEMBL9858398 0.82 TSHR (0.43) LMNAHPGDTSHRALDH1A1MEN1
SCHEMBL1832904 0.81 MEN1 (0.36) LMNATSHRMEN1KMT2A
SCHEMBL1834441 0.80 TAAR1 (0.48) ESR1ESR2CYP3A4ALDH1A1KMT2A
SCHEMBL6823441 0.80 SHBG (0.55) SHBGESR1ESR2CYP3A4ESRRG
SCHEMBL6826195 0.79 ESR1 (0.52) ESR1ESR2ESRRGAR
SCHEMBL6826320 0.78 ALDH1A1 (0.42) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6828564 0.78 CNR1 (0.44) ESR1ESR2AR
SCHEMBL28477537 0.77 SHBG (0.68) SHBGESR1ESR2CYP3A4ESRRG

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 SHBG 3329/4885ESR1 4733/4885ESR2 4738/4885

“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.