SCHEMBL2552489

SCHEMBL2552489

CC1=CC(=O)C(C(C)(C)C)=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
EEF2K O00418 1/20 0.43
PLK1 P53350 1/20 0.43
PLK2 Q9NYY3 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.41
ATM Q13315 3/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MPI P34949 1/20 0.41
STAT3 P40763 1/20 0.40
MCL1 Q07820 1/20 0.40
MEN1 O00255 2/20 0.32
USP2 O75604 2/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL49783 0.87 MAPT (0.50) MAPTKMT2ALMNAHTTALDH1A1
SCHEMBL30770580 0.79 STAT3 (0.41) LMNAEEF2KPLK1PLK2ATM
SCHEMBL30770698 0.78 STAT3 (0.39) EEF2KPLK1PLK2STAT3
SCHEMBL11277727 0.78 MEN1 (0.49) MAPTKMT2ALMNAEEF2KPLK1
SCHEMBL11247339 0.78 STAT3 (0.39) MAPTKMT2AEEF2KPLK1PLK2
P-Xyloquinone SCHEMBL49964 0.78 PLK1 (0.60) MAPTKMT2ALMNAEEF2KPLK1
SCHEMBL10446296 0.76 EEF2K (0.41) MAPTKMT2ALMNAEEF2KPLK1
SCHEMBL11488266 0.74 MAPT (0.34) MAPTKMT2ALMNAHTTALDH1A1
SCHEMBL8615948 0.73 MAPT (0.42) MAPTKMT2ALMNAHTTALDH1A1
SCHEMBL13804759 0.73 MAPT (0.42) MAPTKMT2ALMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092312-A1 ANTIPOLYMERANT COMPOSITIONS WITH BENZOQUINONE OR NAPHTHOQUINONE AND OXYGENATED AMINOPHENOL AND METHODS OF USING ECOLAB USA INC. 2025-03-20 US disclosed
WO-2025059441-A1 ANTIPOLYMERANT COMPOSITIONS WITH BENZOQUINONE OR NAPHTHOQUINONE AND OXYGENATED AMINOPHENOL AND METHODS OF USING ECOLAB USA INC. (US) 2025-03-20 WO disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
CN-110997608-B Dihydroxybiphenyl compound, bisphosphite compound, catalyst, method for producing aldehydes, and method for producing alcohols 三菱化学株式会社 2023-07-25 CN disclosed
EP-3674282-B1 BISPHOSPHITE COMPOUND, CATALYST, PRODUCTION METHOD OF ALDEHYDES, AND PRODUCTION METHOD OF ALCOHOL MITSUBISHI CHEM CORP (JP) 2021-09-22 EP disclosed
US-10793497-B2 Dihydroxybiphenyl compound, bisphosphite compound, catalyst, production method of aldehydes, and production method of alcohol MITSUBISHI CHEMICAL CORPORATION (JP) 2020-10-06 US disclosed
EP-3674282-A1 DIHYDROXYBIPHENYL COMPOUND, BISPHOSPHITE COMPOUND, CATALYST, METHOD FOR PRODUCING ALDEHYDES, AND METHOD FOR PRODUCING ALCOHOL Mitsubishi Chemical Corporation (JP) 2020-07-01 EP disclosed
US-20200181048-A1 DIHYDROXYBIPHENYL COMPOUND, BISPHOSPHITE COMPOUND, CATALYST, PRODUCTION METHOD OF ALDEHYDES, AND PRODUCTION METHOD OF ALCOHOL MITSUBISHI CHEMICAL CORPORATION (JP) 2020-06-11 US disclosed
CN-110997608-A Dihydroxybiphenyl compound, bisphosphite compound, catalyst, method for producing aldehyde, and method for producing alcohol 三菱化学株式会社 2020-04-10 CN disclosed
US-9777024-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2017-10-03 US disclosed
US-20160137672-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2016-05-19 US disclosed
US-9221843-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2015-12-29 US disclosed
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2015-04-30 US disclosed
WO-2011126544-A2 THYMOQUINONE ANALOGS FOR THE TREATMENT OF PANCREATIC CANCER WAYNE STATE UNIVERSITY (US) 2011-10-13 WO disclosed
US-20100129723-A1 NON-AQUEOUS ELECTROLYTE FOR PRIMARY BATTERY, AND NON-AQUEOUS ELECTROLYTE PRIMARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-05-27 US disclosed
EP-1933404-A1 NON-AQUEOUS ELECTROLYTE FOR PRIMARY BATTERY, AND NON-AQUEOUS ELECTROLYTE PRIMARY BATTERY USING THE SAME Mitsubishi Chemical Corporation (JP) 2008-06-18 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 (6 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-20200181048-A1 DIHYDROXYBIPHENYL COMPOUND, BISPHOSPHITE COMPOUND, CATALYST, PRODUCTION METHOD OF ALDEHYDES, AND PRODUCTION METHOD OF ALCOHOL ADH1A, ADH1C, DERA MAPT 4095/4885KMT2A 3591/4885LMNA 4740/4885
US-10793497-B2 Dihydroxybiphenyl compound, bisphosphite compound, catalyst, production method of aldehydes, and production method of alcohol ADH1A, ADH1C, DERA MAPT 4095/4885KMT2A 3591/4885LMNA 4740/4885
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C MAPT 4329/4885KMT2A 2665/4885LMNA 2756/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C MAPT 4241/4885KMT2A 3408/4885LMNA 3544/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C MAPT 4241/4885KMT2A 3408/4885LMNA 3544/4885
US-20160137672-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C MAPT 4329/4885KMT2A 2665/4885LMNA 2756/4885

“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.