SCHEMBL23856792

SCHEMBL23856792

CCOC(=O)C1Cc2ccc(O)c(Br)c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 3/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 4/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
HSD11B1 P28845 1/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL30047502 1.00 KDM4E (0.43) KDM4EALDH1A1KMT2AGAATHRA
SCHEMBL3947526 0.87 GAA (0.47) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL30046928 0.84 ALDH1A1 (0.53) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL23856972 0.84 ALDH1A1 (0.53) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL23856872 0.83 ALDH1A1 (0.43) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL23857100 0.83 KDM4E (0.43) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL30047436 0.83 KDM4E (0.43) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL30253311 0.83 ALDH1A1 (0.43) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL7221370 0.80 CA12 (0.46) KDM4EALDH1A1KMT2AHSD11B1
SCHEMBL25827688 0.80 ALDH1A1 (0.45) KDM4EALDH1A1KMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 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 (1 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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 KDM4E 4195/4885ALDH1A1 842/4885KMT2A 3563/4885

“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.