SCHEMBL4399221

SCHEMBL4399221

COc1cc(O)cc(CO)c1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX5 P09917 5/20 0.45
PTGS2 P35354 4/20 0.44
MAOB P27338 1/20 0.39
HMGCR P04035 1/20 0.39
APP P05067 2/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
NFKB1 P19838 1/20 0.36
MMP8 P22894 1/20 0.36
ALOX15 P16050 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
SCHEMBL7802421 0.84 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4406765 0.81 ALOX5 (0.36) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL10712987 0.81 CYP3A4 (0.61) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL15725791 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DHMGCR
SCHEMBL4405355 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL16522399 0.80 ALOX5 (0.61) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL4405917 0.79 HSD17B10 (0.49) CYP3A4MAPTALOX5PTGS2HMGCR
SCHEMBL19921723 0.75 CYP3A4 (0.54) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL4404809 0.75 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL4411872 0.73 CYP3A4 (0.47) PDE4APDE4BPDE4CPDE4DCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 PDE4A 1438/4885PDE4B 1642/4885PDE4C 1544/4885

“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.