SCHEMBL8324534

SCHEMBL8324534

CC(=O)Oc1ccccc1C(C)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.53
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL11606741 0.88 PTGS2 (0.57) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL18499347 0.86 PTGS2 (0.55) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL720572 0.86 KDM4E (0.55) PTGS2KDM4EHSD17B10HPGDALDH1A1
Hydrogen Peroxide SCHEMBL8008634 0.84 KDM4E (0.58) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL7433035 0.83 ELANE (0.47) KDM4EALDH1A1ESR1MEN1KMT2A
SCHEMBL4440523 0.83 P2RX3 (0.42) KDM4EALDH1A1CYP1A2LMNAKMT2A
SCHEMBL23266881 0.82 PTGS2 (0.52) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL6250169 0.82 PTGS2 (0.52) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL262973 0.82 PTGS2 (0.52) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL26490327 0.82 KMT2A (0.56) PTGS2HSD17B10ALDH1A1TSHRESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-212569331-U Contact lens 星欧光学股份有限公司 2021-02-19 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
US-5959051-A POLYMERIZING IN THE PRESENCE OF METHANOL MARUZEN PETROCHEMICAL CO., LTD. (JP) 1999-09-28 US disclosed
JP-H10306126-A PRODUCTION OF POLY(3-MONO OR 3,5-DIHALOGEN-SUBSTITUTED-4-ACETOXY OR HYDROXYSTYRENE) HOECHST AG 1998-11-17 JP disclosed
EP-0864590-A2 Process for preparing vinyl phenol polymers and stabilized compositions of vinyl phenol-containing polymerization raw material MARUZEN PETROCHEMICAL CO., LTD. (JP) 1998-09-16 EP 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
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-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