Sugi Predict

Sugi Predict / Compounds / SCHEMBL739698

SCHEMBL739698

SCHEMBL739698

COc1ccc(C(C)C)cc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ CYP2D6 P10635 2/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL10360993 0.88 CYP2D6 (0.46) HDAC4HDAC8CYP2D6ADRA2AADRA1A
SCHEMBL13395132 0.88 CYP2D6 (0.42) HDAC4HDAC8CYP2D6ADRA2AADRA1A
SCHEMBL6705742 0.86 CYP2D6 (0.45) HDAC4HDAC8CYP2D6ADRA2AADRA1A
SCHEMBL28606337 0.84 LMNA (0.40) HDAC4HDAC8POLBGAAGFER
SCHEMBL11063120 0.84 LMNA (0.40) HDAC4HDAC8CYP2D6ADRA2AADRA1A
SCHEMBL22222436 0.83 ALDH1A1 (0.39) HDAC4HDAC8CYP2D6ADRA2AADRA1A
SCHEMBL14316797 0.83 ALDH1A1 (0.44) HDAC4HDAC8CYP2D6ADRA2AADRA1A
SCHEMBL738832 0.83 HDAC4 (0.48) HDAC4HDAC8POLBGAAGFER
SCHEMBL84033 0.82 PPARG (0.53) HDAC4HDAC8ALDH1A1KMT2AHPGD
SCHEMBL20969583 0.81 ADRA2A (0.41) CYP2D6ADRA2AADRA1APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023241950-A1 MIXTURES OF COMPOUNDS HAVING IMPROVED SOLUBILITY FOR USE AS MARKERS BASF SE (DE) 2023-12-21 — — WO disclosed
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2022-08-18 — — US disclosed
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 — — US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 — — US disclosed
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2021-01-28 — — US disclosed
US-20200392223-A1 IL-17A ACTIVITY INHIBITOR AND USE THEREOF TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2020-12-17 — — US disclosed
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-11-17 — — US disclosed
US-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 — — US disclosed
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2020-05-28 — — US disclosed
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-02-20 — — US disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 — — US disclosed
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE BIOPHARMA R&D IP, LLC 2010-10-28 — — US disclosed
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE BIOPHARMA R&D IP, LLC 2010-10-28 — — US disclosed
US-20100240657-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240657-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100167986-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME CORP. 2010-07-01 — — US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 — — US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 — — US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 — — US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 — — 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 (15 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-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 HDAC4 1112/4885HDAC8 485/4885CYP2D6 725/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A HDAC4 3714/4885HDAC8 2818/4885CYP2D6 711/4885
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP HDAC4 890/4885HDAC8 523/4885CYP2D6 4268/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B HDAC4 3756/4885HDAC8 3011/4885CYP2D6 928/4885
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 HDAC4 3270/4885HDAC8 2692/4885CYP2D6 1966/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 HDAC4 1112/4885HDAC8 485/4885CYP2D6 725/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP HDAC4 890/4885HDAC8 523/4885CYP2D6 4268/4885
US-20200392223-A1 IL-17A ACTIVITY INHIBITOR AND USE THEREOF IL17A, IL23R, IL15RA HDAC4 1064/4885HDAC8 362/4885CYP2D6 1732/4885
US-10807959-B2 WDR5-MLL1 inhibitors and modulators WDR5, WDR1, WDR3 HDAC4 178/4885HDAC8 70/4885CYP2D6 4469/4885
US-20100167986-A1 Cholesteryl Ester Transfer Protein Inhibitors CETP, LCAT, APOB HDAC4 1508/4885HDAC8 1422/4885CYP2D6 1065/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B HDAC4 3638/4885HDAC8 2878/4885CYP2D6 739/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 HDAC4 178/4885HDAC8 70/4885CYP2D6 4469/4885
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A HDAC4 3405/4885HDAC8 3015/4885CYP2D6 746/4885
US-20100240657-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 HDAC4 2935/4885HDAC8 4236/4885CYP2D6 144/4885
US-20220259225-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR HDAC4 1953/4885HDAC8 1875/4885CYP2D6 794/4885

“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.