SCHEMBL6645967

SCHEMBL6645967

CC(C)(C)OC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
SYK P43405 1/20 0.51
LMNA P02545 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
Formaldehyde SCHEMBL28513707 0.96 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL2540267 0.90 ALDH1A1 (0.44) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL16746570 0.89 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL14483861 0.84 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL12228653 0.84 RXRA (0.42) ALDH1A1TDP1L3MBTL1SLC6A2SLC6A3
SCHEMBL1680118 0.84 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL28281565 0.83 ALDH1A1 (0.45) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL15514064 0.82 SYK (0.53) ALDH1A1SYKSMN1; SMN2CA12CA1
SCHEMBL20033375 0.82 SYK (0.44) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL19452722 0.82 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362436-B1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIV ANTWERPEN (BE) 2021-06-30 EP disclosed
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 US disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed
EP-1154980-B1 METHOD FOR PRODUCING SYMMETRICAL AND ASYMMETRICAL CARBONATES GOEDECKE GMBH (DE) 2004-05-26 EP disclosed
US-6740768-B1 REACTING ALKYL OR ARYL ALCOHOL AND HALIDE WITH CARBON DIOXIDE AND CESIUM CARBONATE AT ROOM TEMPERATURE IN DIPOLAR APROTIC SOLVENT GOEDECKE GMBH (DE) 2004-05-25 US disclosed
EP-1154980-A1 METHOD FOR PRODUCING SYMMETRICAL AND ASYMMETRICAL CARBONATES GÖDECKE GMBH (DE) 2001-11-21 EP disclosed
WO-2000047544-A1 METHOD FOR PRODUCING SYMMETRICAL AND ASYMMETRICAL CARBONATES Gödecke GmbH (DE) 2000-08-17 WO disclosed
CN-1261276-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2000-07-26 CN 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 (2 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-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 ALDH1A1 3170/4885TDP1 2685/4885MAPK1 1710/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 ALDH1A1 3118/4885TDP1 2492/4885MAPK1 1619/4885

“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.