SCHEMBL21715530

SCHEMBL21715530

COc1c(OCC2CC2)ccc(C=O)c1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.42
PDE4B Q07343 15/20 0.39
PDE4A P27815 4/20 0.38
PDE4C Q08493 4/20 0.38
FFAR4 Q5NUL3 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 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
SCHEMBL20456502 0.81 ERN1 (0.42) PDE4DPDE4BPDE4APDE4C
SCHEMBL20455985 0.79 PDE4D (0.40) PDE4DPDE4BPDE4APDE4C
SCHEMBL20455996 0.74 CA1 (0.50)
SCHEMBL20455932 0.72 ALDH1A1 (0.40) PDE4DPDE4BPDE4APDE4C
SCHEMBL13412905 0.70 CA5A (0.57) PDE4DPDE4BPDE4APDE4C
SCHEMBL28482991 0.70 MAPT (0.43)
SCHEMBL5797004 0.69 PDE4B (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL15754345 0.69 MAP4K4 (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL30362273 0.69 MAP4K4 (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL14799165 0.69 MAP4K4 (0.48) PDE4DPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-110546133-A Anti-fibrotic compounds SHIRE HUMAN GENETIC THERAPIES 2019-12-06 CN 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 (2 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-11014873-B2 Anti-fibrotic compounds TGFB1, SMAD3, SMAD2 PDE4D 3418/4885PDE4B 2017/4885PDE4A 1891/4885
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, SMAD2 PDE4D 3750/4885PDE4B 2696/4885PDE4A 2559/4885

“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.