SCHEMBL4397903

SCHEMBL4397903

COc1cc(O)c(Cl)c(CO)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.41
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PAK1 Q13153 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CYP3A4 P08684 2/20 0.36
MMP1 P03956 1/20 0.36
ALOX5 P09917 4/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
HTT P42858 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
TSHR P16473 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL4405723 0.88 HMGCR (0.40) HMGCRESR1ESR2MEN1KMT2A
SCHEMBL4405403 0.87 PDE4A (0.37) MEN1KMT2APAK1PDE4APDE4B
SCHEMBL4403305 0.85 HMGCR (0.43) HMGCRPDE4APDE4BPDE4CPDE4D
SCHEMBL15725837 0.84 PDE4A (0.35) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4411877 0.81 GAA (0.47) HMGCRMEN1KMT2APAK1ALOX5
SCHEMBL21614374 0.81 HMGCR (0.41) HMGCRESR1ESR2MEN1KMT2A
SCHEMBL21614371 0.81 HMGCR (0.41) HMGCRESR1ESR2MEN1KMT2A
SCHEMBL4411924 0.81 PDE4A (0.43) HMGCRPDE4APDE4BPDE4CPDE4D
SCHEMBL4408963 0.80 ENPP1 (0.36) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL4395425 0.77 ENPP1 (0.36) 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 HMGCR 1798/4885ESR1 1775/4885ESR2 2246/4885

“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.