SCHEMBL4406765

SCHEMBL4406765

CCOc1cc(O)cc(CO)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.36
PTGS2 P35354 3/20 0.35
S1PR1 P21453 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ESR2 Q92731 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33
PLEC Q15149 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CALM1 P0DP23 1/20 0.33
PKM P14618 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
SCHEMBL4403715 0.82 KDM4E (0.39) PTGS2S1PR1CYP3A4TSHRTDP1
SCHEMBL4399221 0.81 PDE4A (0.47) ALOX5PTGS2CYP3A4MAPTPDE4A
SCHEMBL4405629 0.80 POLB (0.44) MEN1KMT2ACYP3A4TSHRMAPT
SCHEMBL4398320 0.79 ABL1 (0.39) TSHRCALM1PDE4APDE4BPDE4C
SCHEMBL4401870 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL4412705 0.75 LTA4H (0.39) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4406925 0.74 AR (0.39) ALDH1A1CYP3A4ESR2PDE4APDE4B
SCHEMBL4398340 0.73 TSHR (0.41) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL1121343 0.73 HTT (0.40) S1PR1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16957186 0.73 ALDH1A1 (0.45) S1PR1ALDH1A1MEN1KMT2AGAA

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 ALOX5 1144/4885PTGS2 642/4885S1PR1 1288/4885

“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.