SCHEMBL25934712

SCHEMBL25934712

Cc1c(C2OC(C)(C)C(C)(C)O2)c(CO)nn1C1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
PDE1A P54750 2/20 0.30
PDE1B Q01064 2/20 0.30
PDE4D Q08499 2/20 0.30
PDE1C Q14123 2/20 0.30
PDE6A P16499 1/20 0.30
PDE6B P35913 1/20 0.30

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
SCHEMBL25934710 0.82 GAA (0.30) GAA
SCHEMBL22826020 0.78 GAA (0.33) GAACYP4F2CYP4A11
SCHEMBL22825973 0.77 GAA (0.38) GAACYP4F2CYP4A11
SCHEMBL31622729 0.77 GAA (0.38) GAACYP4F2CYP4A11
SCHEMBL24195697 0.74 GAA (0.31) GAACYP4F2CYP4A11
SCHEMBL18209744 0.71 CYP4F2 (0.40) GAACYP4F2CYP4A11
SCHEMBL21152701 0.69 GAA (0.51) GAACYP4F2CYP4A11
SCHEMBL30904946 0.68 GAA (0.39) GAACYP4F2CYP4A11
SCHEMBL21274624 0.67 CYP4F2 (0.44) CYP4F2CYP4A11
SCHEMBL13264542 0.67 GAA (0.38) GAACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250109-A1 MACROCYCLIC ETHER CONTAINING INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
US-20230250109-A1 MACROCYCLIC ETHER CONTAINING INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US 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-20230250109-A1 MACROCYCLIC ETHER CONTAINING INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BAK1, BCL2L1 GAA 3823/4885CYP4F2 4338/4885CYP4A11 4239/4885

“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.