SCHEMBL6823441

SCHEMBL6823441

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.55
ESR1 P03372 14/20 0.53
ESR2 Q92731 13/20 0.53
CYP3A4 P08684 3/20 0.48
LMNA P02545 1/20 0.48
TYR P14679 1/20 0.48
AR P10275 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR6 P50406 1/20 0.48
ESRRG P62508 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38

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
SCHEMBL5931186 0.83 ESR1 (0.52) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL6823447 0.80 SHBG (0.52) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL28040956 0.80 ESR1 (0.45) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL5781869 0.79 RAB9A (0.38) CYP3A4LMNATSHRALDH1A1MEN1
SCHEMBL22458440 0.79 CES2 (0.39) LMNA
SCHEMBL12827585 0.79 MAPT (0.47) SHBGESR1ESR2CYP3A4HPGD
SCHEMBL11437777 0.79 SHBG (0.55) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL12827582 0.79 TP53 (0.35) SHBGESR1ESR2LMNATSHR
SCHEMBL8582209 0.79 MEN1 (0.45) TSHRSLC6A2SLC6A4SLC6A3HSD17B10
SCHEMBL1125158 0.78 TAAR1 (0.52) ESR1ESR2CYP3A4TSHRALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113930962-B Modified glass fiber cloth and preparation method thereof, solid ammonia storage device and automobile 一汽解放汽车有限公司 2023-12-22 CN disclosed
CN-113930962-A Modified glass fiber cloth and preparation method thereof, solid ammonia storage device and automobile 一汽解放汽车有限公司 2022-01-14 CN disclosed
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.