SCHEMBL8770909

SCHEMBL8770909

COC(=O)CC(O)c1ccccc1OC

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PPARG P37231 3/20 0.49
CTSD P07339 1/20 0.45
PPARA Q07869 1/20 0.44
HPGD P15428 1/20 0.44
TNF P01375 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
RAB9A P51151 1/20 0.43
NFE2L2 Q16236 1/20 0.42
LPAR1 Q92633 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL27574662 0.86 POLB (0.54) HTTPOLBNPSR1L3MBTL1CTSD
SCHEMBL27574663 0.86 POLB (0.54) HTTPOLBNPSR1L3MBTL1CTSD
SCHEMBL312971 0.85 POLB (0.48) HTTPOLBNPSR1L3MBTL1PPARG
SCHEMBL18151122 0.84 HTT (0.66) HTTPOLBNPSR1L3MBTL1CTSD
SCHEMBL8771313 0.84 POLB (0.57) HTTPOLBNPSR1L3MBTL1HPGD
SCHEMBL8770864 0.84 POLB (0.47) HTTPOLBNPSR1L3MBTL1PPARG
SCHEMBL8770885 0.84 BRD4 (0.49) PPARG
SCHEMBL17754986 0.83 HTT (0.51) HTTPOLBNPSR1L3MBTL1CTSD
SCHEMBL8770955 0.81 CYP2C19 (0.52) HTTPOLBPPARG
SCHEMBL20749074 0.81 PPARG (0.42) HTTPPARGPPARAHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3292890-A None JP disclosed
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
JP-H03292890-A PRODUCTION OF OPTICALLY ACTIVE 3-ARYL-3-HYDROXYPROPIONIC ACID ALKYL ESTER CHISSO CORP 1991-12-24 JP 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 HTT 1595/4885POLB 1138/4885NPSR1 4604/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO HTT 1595/4885POLB 1138/4885NPSR1 4604/4885

“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.