SCHEMBL4406552

SCHEMBL4406552

CCOc1cc(O)cc(C(=O)C(=O)O)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HNF4A P41235 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
GLA P06280 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL4402939 0.87 TSHR (0.50) TSHRHSD17B10CYP3A4KDM4EL3MBTL1
SCHEMBL4395658 0.84 KDM4E (0.49) TSHRHSD17B10CYP3A4KDM4EHNF4A
SCHEMBL4406522 0.82 MAPT (0.42) CYP3A4KDM4EGAALMNACA12
SCHEMBL4403271 0.82 KDM4E (0.43) TSHRHSD17B10CYP3A4KDM4EHNF4A
SCHEMBL4405792 0.78 KAT6A (0.43) HSD17B10KDM4EMRGPRX4TP53PTGS2
SCHEMBL4398521 0.77 TSHR (0.44) TSHRHSD17B10CYP3A4KDM4EHNF4A
SCHEMBL4409356 0.76 KDM4E (0.43) TSHRHSD17B10KDM4EMRGPRX4TP53
SCHEMBL4405629 0.75 POLB (0.44) TSHRHSD17B10CYP3A4KDM4EL3MBTL1
SCHEMBL4398646 0.72 TSHR (0.45) TSHRHSD17B10CYP3A4L3MBTL1MRGPRX4
SCHEMBL4401870 0.71 ALDH1A1 (0.43) TSHRHSD17B10CYP3A4KDM4EL3MBTL1

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 TSHR 3028/4885HSD17B10 2499/4885CYP3A4 2224/4885

“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.