SCHEMBL8324538

SCHEMBL8324538

CC(=O)OC(C)(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
MAPT P10636 3/20 0.45
KMT2A Q03164 1/20 0.45
KCNN4 O15554 1/20 0.44
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL28045205 0.89 CYP2C19 (0.41) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL11436123 0.85 CYP2C19 (0.50) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL11379208 0.83 CYP2C19 (0.52) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL11876274 0.81 CYP2C19 (0.43) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL42458 0.81 ALDH1A1 (0.56) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL20972999 0.81 KCNN4 (0.45) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL14878271 0.81 KCNN4 (0.45) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL17468466 0.80 CYP2C19 (0.46) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL28028389 0.79 CYP2C19 (0.48) CYP2C19HIF1AMAPTKMT2AKCNN4
SCHEMBL1096837 0.78 KCNN4 (0.47) CYP2C19HIF1AMAPTKMT2AKCNN4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103360249-B To acetoxyl methyl phenyl carbinol and the preparation method to acetoxystyrene SINOPEC CORP. (CN) 2015-12-02 CN claimed
CN-102452935-B Preparation method of p-acetoxyacetophenone, and hydrogenation and dehydration products thereof CHINA PETROLEUM & CHEMICAL 2014-03-05 CN claimed
CN-103360249-A Preparation methods of acetate alpha-phenethyl alcohol and acetate styrene CHINA PETROLEUM & CHEMICAL 2013-10-23 CN claimed
CN-102452935-A Preparation method of p-acetophenone acetate and hydrogenation and dehydration products thereof CHINA PETROLEUM & CHEMICAL 2012-05-16 CN claimed
US-5151546-A Process for the production of 4-acetoxystyrene, its polymers and hydrolysis products HOECHST CELANESE CORPORATION (US) 1992-09-29 US claimed
EP-0355983-A1 A process for the low residence time dehydration of p-acetoxyphenyl methylcarbinol HOECHST CELANESE CORPORATION (US) 1990-02-28 EP claimed
JP-10306126-A None JP disclosed
CN-111689827-B Device and method for preparing styrene 中国石化工程建设有限公司 2023-01-03 CN disclosed
CN-110724025-B Device and method for preparing styrene by dehydrating phenethyl alcohol 中国石化工程建设有限公司 2022-08-23 CN disclosed
CN-111689827-A Device and method for preparing styrene 中国石化工程建设有限公司 2020-09-22 CN disclosed
CN-110724025-A Device and method for preparing styrene by dehydrating phenethyl alcohol 中国石化工程建设有限公司 2020-01-24 CN disclosed
CN-103360249-B To acetoxyl methyl phenyl carbinol and the preparation method to acetoxystyrene SINOPEC CORP. (CN) 2015-12-02 CN disclosed
CN-103360249-B To acetoxyl methyl phenyl carbinol and the preparation method to acetoxystyrene SINOPEC CORP. (CN) 2015-12-02 CN disclosed
EP-0355983-B1 A PROCESS FOR THE LOW RESIDENCE TIME DEHYDRATION OF P-ACETOXYPHENYL METHYLCARBINOL HOECHST CELANESE CORPORATION (US) 1993-09-15 EP disclosed
US-5245074-A Process for the production of 4-acetoxystyrene, its polymers and hydrolysis products CLARIANT AG (CH) 1993-09-14 US disclosed
EP-0353898-B1 NEAT (SOLVENTLESS) HYDROGENATION OF 4-ACETOXYACETOPHENONE IN THE PRODUCTION OF 4-ACETOXYSTYRENE AND ITS POLYMERS AND HYDROLYSIS PRODUCTS HOECHST CELANESE CORPORATION (US) 1992-12-30 EP disclosed
US-5151546-A Process for the production of 4-acetoxystyrene, its polymers and hydrolysis products HOECHST CELANESE CORPORATION (US) 1992-09-29 US disclosed
US-5084533-A Neat (solventless) hydrogenation of 4-acetoxyacetophenone in the production of 4-acetoxystyrene and its polymers and hydrolysis products HOECHST CELANESE CORPORATION (US) 1992-01-28 US disclosed
EP-0355983-A1 A process for the low residence time dehydration of p-acetoxyphenyl methylcarbinol HOECHST CELANESE CORPORATION (US) 1990-02-28 EP disclosed
EP-0353898-A1 Neat (solventless) hydrogenation of 4-acetoxyacetophenone in the production of 4-acetoxystyrene and its polymers and hydrolysis products HOECHST CELANESE CORPORATION (US) 1990-02-07 EP disclosed