SCHEMBL4403715

SCHEMBL4403715

CCOc1cc(CO)c(F)c(OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
NQO1 P15559 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
S1PR1 P21453 3/20 0.34
TSHR P16473 2/20 0.33
TP53 P04637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
S1PR3 Q99500 2/20 0.32
LTA4H P09960 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4404809 0.90 PDE4A (0.42) KDM4ECYP2C19TSHRNPC1RAB9A
SCHEMBL4398320 0.90 ABL1 (0.39) KDM4ECYP1A2TSHRPDE4APDE4B
SCHEMBL27616067 0.82 KDM4E (0.39) KDM4ENQO1L3MBTL1CYP1A2CYP2D6
SCHEMBL4406765 0.82 ALOX5 (0.36) KDM4EL3MBTL1TDP1S1PR1TSHR
SCHEMBL4412705 0.82 LTA4H (0.39) NQO1TP53NPC1RAB9ALTA4H
SCHEMBL4407638 0.80 HSD17B10 (0.43) KDM4EL3MBTL1TSHRCYP3A4PTGS2
SCHEMBL6156489 0.77 MAPT (0.41) KDM4ECYP1A2CYP2C19TSHRCYP3A4
SCHEMBL8129746 0.76 KDM4E (0.41) KDM4ENQO1S1PR1TSHRTP53
SCHEMBL5037900 0.76 L3MBTL1 (0.42) KDM4EL3MBTL1TSHRFFAR1
SCHEMBL10604139 0.75 NQO1 (0.42) NQO1TDP1TSHRTP53NPC1

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 KDM4E 954/4885NQO1 1375/4885L3MBTL1 3772/4885

“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.