SCHEMBL5962298

SCHEMBL5962298

COC(=O)C=C(c1ccccc1)c1ccc(OC)c(OC2CCCC2)c1.COc1ccc(C(=CC#N)c2ccccc2)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.55
PDE4A P27815 11/20 0.55
PDE4B Q07343 11/20 0.55
PDE4C Q08493 11/20 0.55
PDE5A O76074 3/20 0.54
PDE1A P54750 1/20 0.54
PDE1B Q01064 1/20 0.54
PDE1C Q14123 1/20 0.54

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
SCHEMBL4825638 0.92 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL4824224 0.91 PDE4A (0.61) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL4824218 0.91 PDE4A (0.61) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL4825921 0.85 PDE4B (0.69) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL4825447 0.82 PDE4B (0.56) PDE4DPDE4APDE4BPDE4C
SCHEMBL4826823 0.81 PDE4A (0.59) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL8269320 0.79 PDE4D (0.61) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL8499395 0.79 PDE4A (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL8271321 0.79 PDE4A (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL8269312 0.79 PDE4A (0.72) PDE4DPDE4APDE4BPDE4C

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-7019030-B2 Cyano and carboxy derivatives of substituted styrenes; inhibitors of tumor necrosis factor alpha, nuclear factor kappa B, and phosphodiesterase CELGENE CORPORATION (US) 2006-03-28 US disclosed
US-20040019106-A1 Novel immunotherapeutic agents MULLER GEORGE W (US) 2004-01-29 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-20040019106-A1 Novel immunotherapeutic agents NFKBIA, RELA, IKBKG PDE4D 80/4885PDE4A 22/4885PDE4B 33/4885

“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.