SCHEMBL8770903

SCHEMBL8770903

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
CNR2 P34972 1/20 0.43
AOC3 Q16853 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
SCHEMBL8770943 0.85 MAPT (0.45) L3MBTL1HDAC4HDAC7HDAC5CES2
SCHEMBL22303913 0.84 HDAC4 (0.47) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL8770988 0.84 CES2 (0.43) L3MBTL1HDAC4HDAC7HDAC5CES2
SCHEMBL4453208 0.83 MAPT (0.44) L3MBTL1CES2CES1MAPTALDH1A1
SCHEMBL4467344 0.83 MAPT (0.44) L3MBTL1CES2CES1MAPTALDH1A1
SCHEMBL4453212 0.83 MAPT (0.44) L3MBTL1CES2CES1MAPTALDH1A1
SCHEMBL7422382 0.83 HDAC4 (0.46) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL5633627 0.83 HDAC4 (0.46) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL13882102 0.83 HIF1A (0.57) L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL6339453 0.82 HDAC4 (0.45) HDAC4HDAC7HDAC5CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105112460-A Method for producing (S)-4-methylbenzene methyl propionate from cells UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-02 CN claimed
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
CN-104603136-B Process for preparing substituted triazolopyridines 拜耳医药股份有限公司 2017-06-27 CN disclosed
CN-104114552-B Substituted Triazolopyridine and the purposes as TTK inhibitor thereof 拜耳知识产权有限责任公司 2016-12-28 CN disclosed
CN-105431435-A Substituted triazolopyridines having activity as MPS-1 inhibitors Bayer Pharma AG 2016-03-23 CN disclosed
CN-105112460-A Method for producing (S)-4-methylbenzene methyl propionate from cells UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-02 CN disclosed
CN-104603136-A Process for preparing substituted triazolopyridines Bayer Pharma AG 2015-05-06 CN disclosed
CN-104114552-A Substituted triazolopyridines and their use as ttk inhibitors BAYER IP GMBH 2014-10-22 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 L3MBTL1 3381/4885HDAC4 3953/4885HDAC7 3992/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO L3MBTL1 3381/4885HDAC4 3953/4885HDAC7 3992/4885

“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.