SCHEMBL20456002

SCHEMBL20456002

COC(=O)/C=C/c1ccc(Br)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.70
FDPS P14324 2/20 0.65
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
GAA P10253 2/20 0.60
MAPT P10636 2/20 0.60
HTT P42858 2/20 0.60
JAK2 O60674 1/20 0.60
APP P05067 3/20 0.58
TTR P02766 1/20 0.58
NFE2L2 Q16236 3/20 0.56
PTPN1 P18031 1/20 0.55
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
TYR P14679 2/20 0.54

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
SCHEMBL30290009 1.00 EPHX2 (0.70) EPHX2FDPSKDM4EALDH1A1SMN1; SMN2
SCHEMBL4176324 0.88 RECQL (0.68) EPHX2FDPSKDM4EALDH1A1SMN1; SMN2
SCHEMBL4176326 0.88 RECQL (0.68) EPHX2FDPSKDM4EALDH1A1SMN1; SMN2
SCHEMBL731054 0.86 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2GAAAPP
SCHEMBL731055 0.86 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2GAAAPP
SCHEMBL30853135 0.86 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2GAAAPP
SCHEMBL17301814 0.85 MAOB (0.73) EPHX2FDPSTTRNFE2L2CA12
Methyl Cis-3,4-Dimethoxycinnamate SCHEMBL2411955 0.85 FDPS (0.80) EPHX2FDPSKDM4EALDH1A1SMN1; SMN2
Methyl Cis-3,4-Dimethoxycinnamate SCHEMBL2411956 0.85 FDPS (0.80) EPHX2FDPSKDM4EALDH1A1SMN1; SMN2
SCHEMBL1204566 0.83 EPHX2 (0.72) EPHX2FDPSKDM4EALDH1A1SMN1; SMN2

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
US-11603349-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD (AU) 2023-03-14 US disclosed
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD (AU) 2021-08-12 US disclosed
US-11014873-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD. (AU) 2021-05-25 US disclosed
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS SHIRE HUMAN GENETIC THERAPIES, INC. 2020-02-20 US disclosed
WO-2018144620-A9 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD. (AU) 2019-01-24 WO disclosed
WO-2018144620-A9 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD. (AU) 2019-01-24 WO disclosed
WO-2018144620-A1 ANTI-FIBROTIC COMPOUNDS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2018-08-09 WO disclosed
WO-2018144620-A1 ANTI-FIBROTIC COMPOUNDS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2018-08-09 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 (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-11603349-B2 Anti-fibrotic compounds TGFB1, SMAD3, TGFB2 EPHX2 2366/4885FDPS 629/4885KDM4E 4055/4885
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, TGFB2 EPHX2 2366/4885FDPS 629/4885KDM4E 4055/4885
US-11014873-B2 Anti-fibrotic compounds TGFB1, SMAD3, SMAD2 EPHX2 2478/4885FDPS 605/4885KDM4E 4041/4885
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, SMAD2 EPHX2 2320/4885FDPS 970/4885KDM4E 3305/4885

“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.