SCHEMBL2320546

SCHEMBL2320546

COc1ccc(C(=O)C(C)=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.78
CES1 P23141 3/20 0.78
MAPT P10636 2/20 0.70
CA1 P00915 6/20 0.61
CA2 P00918 6/20 0.61
PARP10 Q53GL7 2/20 0.59
PARP1 P09874 1/20 0.59
PARP2 Q9UGN5 1/20 0.59
PARP4 Q9UKK3 1/20 0.59
PLK1 P53350 1/20 0.55
GSK3B P49841 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53

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
SCHEMBL557152 0.88 CES2 (1.00) CES2CES1MAPTCA1CA2
SCHEMBL14507040 0.88 CES2 (1.00) CES2CES1MAPTCA1CA2
SCHEMBL5740071 0.87 CES2 (0.72) CES2CES1MAPTCA1CA2
SCHEMBL29548151 0.86 CES2 (0.95) CES2CES1MAPTCA1CA2
SCHEMBL14886374 0.84 MAPT (0.72) CES2CES1MAPTCA1CA2
SCHEMBL2419348 0.83 MAPT (1.00) CES2CES1MAPTCA1CA2
SCHEMBL8669380 0.82 CES2 (0.86) CES2CES1MAPTCA1CA2
SCHEMBL9982878 0.82 CES2 (0.64) CES2CES1MAPTCA1CA2
SCHEMBL906482 0.82 CES2 (0.78) CES2CES1MAPTCA1CA2
P-Methoxy-Acetophenone SCHEMBL41285 0.81 MAPT (0.70) CES2CES1MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912606-A Catalyst suitable for ethylene polymerization reaction and preparation method and application thereof 中国石油化工股份有限公司 2025-05-02 CN claimed
CN-119912606-A Catalyst suitable for ethylene polymerization reaction and preparation method and application thereof 中国石油化工股份有限公司 2025-05-02 CN disclosed
CN-118076767-A Method and formulation for producing an optical metal oxide layer 默克专利有限公司 2024-05-24 CN disclosed
CN-115521196-B Method for preparing alpha-hydroxy ketone compound by using water as hydrogen source 云南民族大学 2024-03-29 CN disclosed
CN-115521196-A Method for preparing alpha-hydroxy ketone compound by taking water as hydrogen source 云南民族大学 2022-12-27 CN disclosed
CN-110483586-B Large steric hindrance ketimine nickel catalyst and ligand compound, preparation method and application thereof 中国科学技术大学 2021-07-09 CN disclosed
US-9975831-B2 Method for producing ether compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-05-22 US disclosed
CN-107513060-A The synthetic method of Iloperidone 山东金城医药化工有限公司 2017-12-26 CN disclosed
US-9771369-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-09-26 US disclosed
US-9771369-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-09-26 US disclosed
EP-2352725-A1 QUINOXALINE-BASED LXR MODULATORS Wyeth LLC (US) 2011-08-10 EP disclosed
WO-2010054229-A1 QUINOXALINE-BASED LXR MODULATORS WYETH LLC (US) 2010-05-14 WO disclosed
US-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS WYETH (US) 2010-05-13 US disclosed
US-7422837-B2 Photosensitive composition FUJIFILM CORPORATION (JP) 2008-09-09 US disclosed
US-7422837-B2 Photosensitive composition FUJIFILM CORPORATION (JP) 2008-09-09 US disclosed
US-20080041273-A1 Scratchproof, Radiation-Curable Coatings BASF COATINGS AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
EP-1772502-A1 Oxidatively drying composition to be employed in thin layers comprising 1,2 dioxo compounds DSMIP Assets B.V. (NL) 2007-04-11 EP disclosed
EP-0611301-A1 CHELATOR COMPOSITIONS COMPRISING OXIME COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1994-08-24 EP disclosed
EP-0611301-A4 CHELATOR COMPOSITIONS COMPRISING OXIME COMPOUNDS. PROCTER & GAMBLE (US) 1993-03-01 EP disclosed
WO-1991016034-A1 CHELATOR COMPOSITIONS COMPRISING OXIME COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1991-10-31 WO 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 (1 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-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 CES2 1014/4885CES1 17/4885MAPT 4746/4885

“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.