SCHEMBL10221598

SCHEMBL10221598

[C-]#[N+][C@]1(c2ccc(C)c(OC3CCCC3)c2)CC[C@H](C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.53
PDE4B Q07343 16/20 0.53
PDE4C Q08493 16/20 0.53
PDE4D Q08499 16/20 0.53
S1PR5 Q9H228 4/20 0.41

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
SCHEMBL84940 0.88 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL28752355 0.81 PDE4B (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL12597955 0.81 PDE4B (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL14473185 0.72 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL13790344 0.72 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL8344453 0.71 PDE4B (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL6323001 0.70 PDE4B (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL6322447 0.70 PDE4B (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL6322995 0.70 PDE4B (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL7359174 0.70 PDE4B (0.82) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4A 1/4885PDE4B 2/4885PDE4C 7/4885

“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.