SCHEMBL12237301

SCHEMBL12237301

CC1(C)NC(=O)C(C)(C)C(=O)NC(C)(C)C(=O)Nc2ccccc2NC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.53
▸ PDK4 Q16654 1/20 0.53
▸ MGAT2 Q10469 1/20 0.38
▸ CREBBP Q92793 3/20 0.38
▸ BRPF1 P55201 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FER P16591 1/20 0.38
▸ LTK P29376 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ BRD4 O60885 4/20 0.37
▸ AKR1B1 P15121 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36

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
SCHEMBL29789747 0.87 PDK2 (0.52) PDK2PDK4MGAT2CREBBPBRPF1
SCHEMBL757520 0.87 PDK2 (0.52) PDK2PDK4MGAT2CREBBPBRPF1
SCHEMBL17586345 0.85 PDK2 (0.41) PDK2PDK4MGAT2CREBBPALDH1A1
SCHEMBL18177174 0.85 PDK2 (0.50) PDK2PDK4MGAT2CREBBPBRPF1
SCHEMBL9591821 0.84 PDK2 (0.71) PDK2PDK4CREBBPBRPF1ALDH1A1
SCHEMBL14964158 0.82 PDK2 (0.44) PDK2PDK4MGAT2CREBBPBRPF1
SCHEMBL14328387 0.80 PDK2 (0.46) PDK2PDK4MGAT2CREBBPBRPF1
SCHEMBL12778078 0.78 PDK2 (0.63) PDK2PDK4CREBBPBRPF1ALDH1A1
SCHEMBL18413662 0.78 CHEK1 (0.39) PDK2PDK4MGAT2KDM4EGAA
SCHEMBL18413727 0.78 TGM2 (0.39) PDK2PDK4MGAT2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220033740-A1 STAIN REMOVAL THROUGH NOVEL OXIDIZER AND CHELANT COMBINATION ECOLAB USA INC. 2022-02-03 — — US disclosed
US-20210238505-A1 AMYLASE SYNERGY WITH OXYGEN BLEACH IN WAREWASH APPLICATION ECOLAB USA INC. 2021-08-05 — — US disclosed
EP-3132017-B1 NOVEL SOLID BLOCK COMPRISING ONE OR MORE DOMAINS OF PRISMATIC OR CYLINDRICAL SHAPE AND PRODUCTION THEREOF ECOLAB USA INC (US) 2021-05-26 — — EP disclosed
EP-3766951-A1 STAIN REMOVAL THROUGH NOVEL OXIDIZER AND CHELANT COMBINATION Ecolab USA Inc. (US) 2021-01-20 — — EP disclosed
EP-3320071-B1 STAIN REMOVAL THROUGH NOVEL OXIDIZER AND CHELANT COMBINATION ECOLAB USA INC (US) 2020-09-09 — — EP disclosed
US-10669510-B2 Concentrated detergent composition for the improved removal of starch in warewashing applications ECOLAB USA INC. (US) 2020-06-02 — — US disclosed
US-20190177660-A1 CONCENTRATED DETERGENT COMPOSITION FOR THE IMPROVED REMOVAL OF STARCH IN WAREWASHING APPLICATIONS ECOLAB USA INC. 2019-06-13 — — US disclosed
US-10287535-B2 Solid block comprising one or more domains of prismatic or cylindrical shape and production thereof ECOLAB USA INC. (US) 2019-05-14 — — US disclosed
US-10253278-B2 Concentrated detergent composition for the improved removal of starch in warewashing applications ECOLAB USA INC. (US) 2019-04-09 — — US disclosed
US-20180216041-A1 STAIN REMOVAL THROUGH NOVEL OXIDIZER AND CHELANT COMBINATION ECOLAB USA INC. 2018-08-02 — — US disclosed
US-20120329680-A1 Metal (III) Complex Of Biuret-Amide Based Macrocyclic Ligand As Green Oxidation Catalyst COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-12-27 — — US disclosed
US-20120329680-A1 Metal (III) Complex Of Biuret-Amide Based Macrocyclic Ligand As Green Oxidation Catalyst COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-12-27 — — US disclosed
EP-2235781-B1 REDOX FUEL CELLS ACAL ENERGY LTD (GB) 2012-10-24 — — EP disclosed
US-20110259592-A1 METHOD AND COMPOSITION FOR TREATING FLUIDS BEFORE INJECTION INTO SUBTERRANEAN ZONES HALLIBURTON ENERGY SERVICES INC. (US) 2011-10-27 — — US disclosed
US-7989647-B2 Polyols derived from a vegetable oil using an oxidation process SOUTH DAKOTA SOYBEAN PROCESSORS, LLC (US) 2011-08-02 — — US disclosed
US-20110014532-A1 REDOX FUEL CELLS ACAL ENERGY LIMITED (GB) 2011-01-20 — — US disclosed
US-20110014532-A1 REDOX FUEL CELLS ACAL ENERGY LIMITED (GB) 2011-01-20 — — US disclosed
WO-2009093082-A1 REDOX FUEL CELLS ACAL ENERGY LIMITED (GB) 2009-07-30 — — WO disclosed
US-20070173626-A9 Novel polyols derived from a vegetable oil using an oxidation process COMERICA BANK 2007-07-26 — — US disclosed
US-20070037953-A1 Novel polyols derived from a vegetable oil using an oxidation process GEIGER ERIC J 2007-02-15 — — US 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-20120329680-A1 Metal (III) Complex Of Biuret-Amide Based Macrocyclic Ligand As Green Oxidation Catalyst CAT, MPO, SOD3 PDK2 2076/4885PDK4 1514/4885MGAT2 90/4885

“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.

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