SCHEMBL23856972

SCHEMBL23856972

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 5/20 0.43
CA12 O43570 4/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL30046928 1.00 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1ATM
SCHEMBL3949856 0.86 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EMEN1ATM
SCHEMBL30047502 0.84 KDM4E (0.43) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL23856792 0.84 KDM4E (0.43) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL23857639 0.82 KMT2A (0.41) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL30047208 0.82 KMT2A (0.41) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL1081495 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4ECA1CA2
SCHEMBL23871808 0.80 KMT2A (0.37) ALDH1A1KMT2AKDM4EMEN1ATM
SCHEMBL30047177 0.77 KMT2A (0.41) ALDH1A1KMT2AKDM4EMEN1CA1
SCHEMBL7430179 0.77 ALDH1A1 (0.76) ALDH1A1KMT2AKDM4EMEN1ATM

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 ALDH1A1 842/4885KMT2A 3563/4885KDM4E 4195/4885

“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.