SCHEMBL20456502

SCHEMBL20456502

COc1c(OCC2CC2)ccc(C=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.42
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
PDE4B Q07343 11/20 0.41
PDE4D Q08499 4/20 0.41
PDE4A P27815 3/20 0.41
PDE4C Q08493 3/20 0.41
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD3 P35462 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACACB O00763 2/20 0.38

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
SCHEMBL20455985 0.84 PDE4D (0.40) PDE4BPDE4DPDE4APDE4CACACB
SCHEMBL21715530 0.81 PDE4D (0.42) PDE4BPDE4DPDE4APDE4C
SCHEMBL3658867 0.78 ERN1 (0.59) ERN1TLR2TLR1TLR6CA1
SCHEMBL29683824 0.78 ERN1 (0.59) ERN1TLR2TLR1TLR6CA1
SCHEMBL16135175 0.77 ERN1 (0.44) ERN1TLR2TLR1TLR6CA1
SCHEMBL20455932 0.77 ALDH1A1 (0.40) PDE4BPDE4DPDE4APDE4C
SCHEMBL20455950 0.76 ERN1 (0.43) ERN1TLR2TLR1TLR6PDE4B
SCHEMBL5797004 0.74 PDE4B (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL5796324 0.73 ALDH1A1 (0.49) ERN1PDE4BPDE4DPDE4APDE4C
SCHEMBL7407493 0.73 ERN1 (0.53) ERN1PDE4BPDE4DPDE4APDE4C

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 12 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-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-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
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS SHIRE HUMAN GENETIC THERAPIES, INC. 2020-02-20 US disclosed
CN-110546133-A Anti-fibrotic compounds SHIRE HUMAN GENETIC THERAPIES 2019-12-06 CN 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 ERN1 1798/4885TLR2 604/4885TLR1 468/4885
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, TGFB2 ERN1 1798/4885TLR2 604/4885TLR1 468/4885
US-11014873-B2 Anti-fibrotic compounds TGFB1, SMAD3, SMAD2 ERN1 1614/4885TLR2 609/4885TLR1 453/4885
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, SMAD2 ERN1 1357/4885TLR2 522/4885TLR1 469/4885

“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.