SCHEMBL738832

SCHEMBL738832

COc1cc(C(C)C)ccc1C(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
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
TYR P14679 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ERN1 O75460 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL24987670 0.88 GAA (0.42) HDAC4HDAC8POLBGAAGFER
SCHEMBL19784261 0.88 HDAC4 (0.46) HDAC4HDAC8POLBGAAGFER
SCHEMBL16955906 0.86 GAA (0.41) HDAC4HDAC8POLBGAAGFER
SCHEMBL24371806 0.86 HDAC4 (0.44) HDAC4HDAC8POLBGAAGFER
SCHEMBL19308593 0.84 ALDH1A1 (0.46) HDAC4HDAC8POLBGAAGFER
SCHEMBL10175139 0.84 HDAC4 (0.43) HDAC4HDAC8POLBALDH1A1ACHE
SCHEMBL739698 0.83 HDAC4 (0.48) HDAC4HDAC8POLBGAAGFER
SCHEMBL84033 0.82 PPARG (0.53) HDAC4HDAC8ALDH1A1CA1CA2
SCHEMBL16954258 0.81 GAA (0.38) HDAC4HDAC8POLBGAAGFER
SCHEMBL17861690 0.81 RXRA (0.42) HDAC4HDAC8GAAALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 US disclosed
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 US disclosed
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 US disclosed
US-20230295146-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES 1 AND 4 THE UNIVERSITY OF ROCHESTER 2023-09-21 US disclosed
US-20230295146-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES 1 AND 4 THE UNIVERSITY OF ROCHESTER 2023-09-21 US disclosed
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 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-20100256128-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-10-07 US disclosed
US-20100255005-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-10-07 US disclosed
US-20100247514-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-09-30 US disclosed
US-7541383-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2009-06-02 US disclosed
US-20080085891-A1 Asthma and allergic inflammation modulators FU ZICE 2008-04-10 US disclosed
US-7321001-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2008-01-22 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 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 (13 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-20230167099-A1 NEW PYRAZINE COMPOUND EGFR, ERBB2, WEE1 HDAC4 3131/4885HDAC8 2913/4885POLB 4280/4885
US-20230295146-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES 1 AND 4 IRAK4, IRAK1, IRAK2 HDAC4 210/4885HDAC8 542/4885POLB 3350/4885
US-20080085891-A1 Asthma and allergic inflammation modulators IL5, TSLP, CYSLTR2 HDAC4 753/4885HDAC8 1011/4885POLB 4286/4885
US-20100255005-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HDAC4 1474/4885HDAC8 1013/4885POLB 1904/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 HDAC4 250/4885HDAC8 2614/4885POLB 4449/4885
US-20100247514-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HDAC4 1474/4885HDAC8 1013/4885POLB 1904/4885
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF ACE2, ACE, SARS1 HDAC4 2199/4885HDAC8 1681/4885POLB 2793/4885
US-20100256128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HDAC4 1387/4885HDAC8 1034/4885POLB 1783/4885
US-11826351-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK HDAC4 1719/4885HDAC8 1621/4885POLB 2773/4885
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 HDAC4 480/4885HDAC8 395/4885POLB 22/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 HDAC4 1540/4885HDAC8 1290/4885POLB 867/4885
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK HDAC4 1719/4885HDAC8 1621/4885POLB 2773/4885
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A HDAC4 3405/4885HDAC8 3015/4885POLB 2551/4885

“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.