SCHEMBL1239873

SCHEMBL1239873

CC(C)(C)OC(=O)N1C=CC=CC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.39
ESR2 Q92731 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ELANE P08246 1/20 0.34
MAPK1 P28482 2/20 0.33
BUB1 O43683 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP30 Q70CQ3 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
BCHE P06276 1/20 0.33
UCHL1 P09936 1/20 0.32
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 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
SCHEMBL22720838 0.88 NR1H2 (0.41) NR1H2ESR2NFKB1NFKB2RELA
Acetic Acid SCHEMBL28215593 0.84 SMN1; SMN2 (0.40) NR1H2ESR2NFKB1NFKB2RELA
SCHEMBL27037069 0.83 ESR2 (0.36) NR1H2ESR2ELANEMAPK1USP2
SCHEMBL28688256 0.78 ESR2 (0.41) NR1H2ESR2ELANEMAPK1BUB1
SCHEMBL17267601 0.75 ESR2 (0.40) NR1H2ESR2MAPK1MAPTUSP2
SCHEMBL28831819 0.74 ESR2 (0.40) NR1H2ESR2NFKB1NFKB2RELA
SCHEMBL31482816 0.74 ESR2 (0.37) NR1H2ESR2ELANEMAPK1MAPT
SCHEMBL4439029 0.74 NR1H2 (0.42) NR1H2ESR2ELANEMAPK1KDM4E
SCHEMBL2600437 0.73 SMN1; SMN2 (0.56) NR1H2ESR2NFKB1NFKB2RELA
SCHEMBL1838102 0.73 PREP (0.37) NR1H2ESR2ELANEMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119574680-A Mass spectrum detection method for N-heterocyclic ketone and/or N-heterocyclic chiral amino compound and application thereof 北京衍微科技有限公司 2025-03-07 CN claimed
CN-118755684-A Catalytic enzyme for producing chiral aromatic amine, N-heterocyclic amine and derivatives thereof with high optical purity, and preparation method and application thereof 杭州微远生物科技有限公司 2024-10-11 CN claimed
CN-116042560-A Mutant of recombinant aminotransferase and application thereof 清华大学 2023-05-02 CN claimed
CN-119574680-A Mass spectrum detection method for N-heterocyclic ketone and/or N-heterocyclic chiral amino compound and application thereof 北京衍微科技有限公司 2025-03-07 CN disclosed
CN-118791506-A KRAS inhibitor compounds, pharmaceutical compositions thereof and uses thereof 广东东阳光药业股份有限公司 2024-10-18 CN disclosed
CN-118755684-A Catalytic enzyme for producing chiral aromatic amine, N-heterocyclic amine and derivatives thereof with high optical purity, and preparation method and application thereof 杭州微远生物科技有限公司 2024-10-11 CN disclosed
CN-116042560-A Mutant of recombinant aminotransferase and application thereof 清华大学 2023-05-02 CN disclosed
US-20110086860-A1 COMPOUND KIMURA TEIJI 2011-04-14 US disclosed
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US disclosed
EP-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP disclosed
US-7687640-B2 Cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7667041-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 US disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 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 (4 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-20110086860-A1 COMPOUND ARRB1, NR3C2, ADRA2C NR1H2 474/4885ESR2 670/4885NFKB1 3274/4885
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 NR1H2 1811/4885ESR2 1916/4885NFKB1 1284/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 NR1H2 619/4885ESR2 1892/4885NFKB1 2066/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 NR1H2 2951/4885ESR2 3277/4885NFKB1 996/4885

“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.