SCHEMBL4398320

SCHEMBL4398320

CCOc1cc(OC)cc(CO)c1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
ABCB1 P08183 1/20 0.39
BCR P11274 1/20 0.39
CALM1 P0DP23 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
CYP1A2 P05177 1/20 0.36
ESR1 P03372 2/20 0.35
AHR P35869 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34

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
SCHEMBL4403715 0.90 KDM4E (0.39) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL4404809 0.87 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4405355 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL4395632 0.81 HSD17B10 (0.51) ABL1MTNR1AMTNR1BKDM4ETSHR
SCHEMBL4406765 0.79 ALOX5 (0.36) CALM1PDE4APDE4BPDE4CPDE4D
SCHEMBL12480085 0.77 TAAR1 (0.46) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL13310341 0.76 MAPT (0.40) MTNR1AMTNR1BCYP1A2
SCHEMBL16950704 0.76 MTNR1A (0.56) CALM1MTNR1AMTNR1BKDM4ETSHR
SCHEMBL4405345 0.76 MAPT (0.42) ABL1ABCB1BCRCALM1PDE4A
SCHEMBL4411872 0.75 CYP3A4 (0.47) ABL1ABCB1BCRPDE4APDE4B

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 ABL1 104/4885ABCB1 1482/4885BCR 383/4885

“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.