SCHEMBL4412705

SCHEMBL4412705

CCOc1cc(O)c(F)c(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
NQO1 P15559 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC5A1 P13866 2/20 0.34
SLC5A2 P31639 2/20 0.34
EGFR P00533 1/20 0.34
RET P07949 1/20 0.34
KDR P35968 1/20 0.34
KAT6A Q92794 4/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
MAPK10 P53779 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) LTA4HNQO1LMNANPC1TP53
SCHEMBL4411872 0.81 CYP3A4 (0.47) ALDH1A1MAPTLMNAGAA
SCHEMBL4403037 0.80 MAPT (0.47) ALDH1A1MAPTHSD17B10SLC5A1SLC5A2
SCHEMBL15057285 0.79 LTA4H (0.42) LTA4HNQO1ALDH1A1MAPTHSD17B10
SCHEMBL4404809 0.79 PDE4A (0.42) MAPTLMNANPC1RAB9AHTT
SCHEMBL16245425 0.79 NQO1 (0.42) LTA4HNQO1ALDH1A1MAPTHSD17B10
SCHEMBL11361470 0.78 LTA4H (0.50) LTA4HNQO1ALDH1A1MAPTHSD17B10
SCHEMBL4407686 0.76 LTA4H (0.40) LTA4HNQO1ALDH1A1MAPTHSD17B10
SCHEMBL8251842 0.75 LTA4H (0.39) LTA4HNQO1ALDH1A1MAPTHSD17B10
SCHEMBL4406765 0.75 ALOX5 (0.36) ALDH1A1MAPTMEN1KMT2AGAA

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 LTA4H 2515/4885NQO1 1375/4885ALDH1A1 1779/4885

“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.