SCHEMBL8770883

SCHEMBL8770883

COC(=O)CC(O)c1cccc(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.73
AOC3 Q16853 2/20 0.61
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
MTNR1A P48039 6/20 0.50
MTNR1B P49286 6/20 0.50
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL27553225 0.87 L3MBTL1 (0.77) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL27553226 0.87 L3MBTL1 (0.77) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL8770878 0.87 L3MBTL1 (0.68) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL8771236 0.86 L3MBTL1 (0.75) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL8770863 0.85 L3MBTL1 (0.66) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL3584795 0.85 L3MBTL1 (0.61) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL3584798 0.85 L3MBTL1 (0.61) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL3443105 0.84 L3MBTL1 (1.00) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL11475728 0.84 L3MBTL1 (0.56) L3MBTL1AOC3MTNR1AMTNR1BMEN1
SCHEMBL29170854 0.84 L3MBTL1 (0.68) L3MBTL1AOC3CHRM2CHRM1CHRM3

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 10 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
US-4186142-A Cyclization substrates and 6α-substituted 19-norsteroid derivatives AKZONA INCORPORATED (US) 1980-01-29 US 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 L3MBTL1 3381/4885AOC3 1093/4885CHRM2 4238/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO L3MBTL1 3381/4885AOC3 1093/4885CHRM2 4238/4885

“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.