SCHEMBL23901634

SCHEMBL23901634

COc1cc(C(=O)C(C)C)ccc1OC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.57
PDE4D Q08499 14/20 0.57
PDE4A P27815 12/20 0.57
PDE4C Q08493 12/20 0.57
MAPK14 Q16539 1/20 0.55

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
SCHEMBL25453516 0.84 HRH3 (0.49) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL6799815 0.84 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7384113 0.84 PDE4B (0.62) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7364684 0.83 PDE4D (0.60) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL758674 0.82 TSHR (0.66) PDE4BPDE4DPDE4APDE4C
SCHEMBL16544966 0.81 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL8888177 0.81 CYP2D6 (0.61) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL16544973 0.80 MAPT (0.59) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL27472680 0.80 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL28870893 0.80 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CMAPK14

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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE PDE4B 1768/4885PDE4D 2233/4885PDE4A 1536/4885

“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.