SCHEMBL4405835

SCHEMBL4405835

CCOc1cc(OC)c(F)c(CC(=O)O)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
NFKB1 P19838 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 1/20 0.40
MRGPRX4 Q96LA9 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
RAB9A P51151 2/20 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
SCHEMBL4403330 0.95 TSHR (0.44) TSHRMAPK1CYP3A4RXRARXRB
SCHEMBL4399141 0.90 GAA (0.47) TSHRMAPK1CYP3A4GAAHSD17B10
SCHEMBL4399132 0.90 TSHR (0.41) TSHRMAPK1CYP3A4RXRARXRB
SCHEMBL4412766 0.88 TSHR (0.42) TSHRMAPK1CYP3A4RXRARXRB
SCHEMBL4398519 0.82 TSHR (0.51) TSHRMAPK1CYP3A4HSD17B10L3MBTL1
SCHEMBL4398124 0.81 TSHR (0.39) TSHRMAPK1CYP3A4GAAL3MBTL1
SCHEMBL4404657 0.80 GAA (0.50) TSHRMAPK1CYP3A4GAAHSD17B10
SCHEMBL4398646 0.79 TSHR (0.45) TSHRMAPK1CYP3A4HSD17B10L3MBTL1
SCHEMBL16071553 0.79 ALDH1A1 (0.45) CYP3A4GAAHSD17B10ALDH1A1KDM4E
SCHEMBL4404738 0.79 GAA (0.41) TSHRMAPK1CYP3A4GAAHSD17B10

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 3028/4885MAPK1 91/4885CYP3A4 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.