SCHEMBL4411872

SCHEMBL4411872

COc1cc(O)c(F)c(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
POLB P06746 3/20 0.42
ABL1 P00519 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
RIN1 Q13671 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
ESR1 P03372 1/20 0.39
CYP19A1 P11511 1/20 0.39
ESR2 Q92731 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ABCB1 P08183 1/20 0.37

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
SCHEMBL12480085 0.82 TAAR1 (0.46) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL4412705 0.81 LTA4H (0.39) MAPTLMNAGAAALDH1A1
SCHEMBL4405355 0.81 PDE4A (0.47) CYP3A4FNTAFNTBPDE4APDE4B
SCHEMBL4405608 0.79 POLB (0.65) CYP3A4FNTAFNTBPOLBABL1
SCHEMBL1100031 0.77 ALDH1A1 (0.46) CYP3A4FNTAFNTBPOLBABL1
SCHEMBL135264 0.76 POLB (0.59) CYP3A4POLBKDM4EMAPTRECQL
SCHEMBL24861772 0.75 CYP3A4 (0.54) CYP3A4ABL1KDM4EMAPTGAA
SCHEMBL4398320 0.75 ABL1 (0.39) FNTAFNTBABL1KDM4EESR1
SCHEMBL2701785 0.75 PDE4A (0.34) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL4399221 0.73 PDE4A (0.47) CYP3A4MAPTPDE4APDE4BPDE4C

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 CYP3A4 2224/4885FNTA 2999/4885FNTB 3280/4885

“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.