SCHEMBL4619965

SCHEMBL4619965

C=CCOc1cc(Br)ccc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.48
HTT P42858 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.45
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
ERN1 O75460 2/20 0.41
LIG1 P18858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.37
ATM Q13315 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL2219521 0.87 HPGD (0.66) HPGDALDH1A1MAPK1HTTMEN1
SCHEMBL1520406 0.81 ALDH1A1 (0.47) HPGDALDH1A1HTTMEN1KMT2A
SCHEMBL1923931 0.81 ALDH1A1 (0.46) HPGDALDH1A1MAPK1HTTMEN1
SCHEMBL28771891 0.81 PTGDR2 (0.49) HPGDALDH1A1HTTPTGDR2TSHR
SCHEMBL23748178 0.80 MAPT (0.45) HPGDALDH1A1MAPK1HTTTSHR
SCHEMBL3694739 0.80 ERN1 (0.41) HPGDALDH1A1MAPK1HTTPTGDR2
SCHEMBL3954852 0.80 GAA (0.41) HPGDALDH1A1MAPK1HTTTSHR
SCHEMBL10158234 0.80 ERN1 (0.40) HPGDALDH1A1MAPK1HTTTSHR
SCHEMBL2523798 0.80 GAA (0.55) HPGDALDH1A1MAPK1HTTMEN1
SCHEMBL28607462 0.80 ALDH1A1 (0.43) HPGDALDH1A1MAPK1HTTPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024254601-A1 HPGD INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. (US) 2024-12-12 WO disclosed
CN-116789626-A Preparation method of aromatic chroman-4-one compound containing amide group 湖南科技学院 2023-09-22 CN disclosed
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 US disclosed
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 US disclosed
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 US disclosed
US-20080167255-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2008-07-10 US disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
US-7320972-B2 4-Biarylyl-1-phenylazetidin-2-ones MICROBIA, INC. (US) 2008-01-22 US disclosed
EP-1832576-A1 4-Biarylyl-1-phenolyzetidin-2-ones Microbia Inc. (US) 2007-09-12 EP disclosed
EP-1682499-B1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA INC (US) 2007-08-08 EP disclosed
CN-1902169-A 4-biaryl-1-phenylazetidin-2-ones MICROBIA INC (US) 2007-01-24 CN disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed
EP-1682499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2006-07-26 EP disclosed
US-20050209165-A1 4-Biarylyl-1-phenylazetidin-2-ones IRONWOOD PHARMACEUTICALS, INC. 2005-09-22 US disclosed
WO-2005047248-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2005-05-26 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 (3 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-20080167255-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES APOB, CYP46A1, PCSK9 HPGD 2215/4885ALDH1A1 848/4885MAPK1 2917/4885
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds APOB, PCSK9, CYP46A1 HPGD 2837/4885ALDH1A1 1045/4885MAPK1 2790/4885
US-20050209165-A1 4-Biarylyl-1-phenylazetidin-2-ones APOB, CYP46A1, PCSK9 HPGD 2215/4885ALDH1A1 848/4885MAPK1 2917/4885

“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.