SCHEMBL8770892

SCHEMBL8770892

COC(=O)CC(O)c1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP3A4 P08684 1/20 0.43
MC4R P32245 2/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.40
PPARG P37231 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 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
SCHEMBL28032089 1.00 MEN1 (0.44) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL23481544 0.89 MEN1 (0.42) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL8770910 0.87 CES2 (0.46) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL3224732 0.84 NLRP3 (0.44) KMT2ACES2CES1CYP3A4ALDH1A1
SCHEMBL26455960 0.83 MEN1 (0.48) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL8770923 0.83 CES2 (0.41) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL28375089 0.83 PPARG (0.54) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL8770909 0.81 HTT (0.51) PPARGHTT
Hydrochloric Acid SCHEMBL381611 0.81 MEN1 (0.43) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL21739932 0.81 KCNA5 (0.45) MEN1KMT2ACYP3A4MC4RCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound WENZHOU UNIVERSITY (CN) 2021-02-02 US disclosed
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound WENZHOU UNIVERSITY (CN) 2021-02-02 US disclosed
CN-109734600-B Synthesis method of chiral beta-hydroxy acid ester compound 温州大学 2020-09-15 CN disclosed
US-20200190013-A1 METHOD FOR SYNTHESIZING CHIRAL BETA-HYDROXY ACID ESTER COMPOUND WENZHOU UNIVERSITY (CN) 2020-06-18 US disclosed
US-20200190013-A1 METHOD FOR SYNTHESIZING CHIRAL BETA-HYDROXY ACID ESTER COMPOUND WENZHOU UNIVERSITY (CN) 2020-06-18 US disclosed
CN-109734600-A A kind of synthetic method of chiral beta carboxylic acid ester type compound 温州大学 2019-05-10 CN disclosed
EP-0451668-B1 Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5202457-A Enzyme catalyzed transesterification, resolution of optical active alkyl 3-aryl-3-hydroxypropionate CHISSO CORPORATION (JP) 1993-04-13 US disclosed
EP-0451668-A2 Optically active alkyl 3-aryl-3-hydroxypropionates and a method for producing thereof CHISSO CORPORATION (JP) 1991-10-16 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 (2 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-20200190013-A1 METHOD FOR SYNTHESIZING CHIRAL BETA-HYDROXY ACID ESTER COMPOUND HSD11B1, HACL2, HAAO MEN1 3844/4885KMT2A 2973/4885CES2 1013/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO MEN1 3844/4885KMT2A 2973/4885CES2 1013/4885

“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.