SCHEMBL4408951

SCHEMBL4408951

CCOc1cc(OC)c(F)c(C(=O)O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.39
MAPK1 P28482 3/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 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
SCHEMBL4412805 0.94 TSHR (0.47) TSHRMRGPRX4MAPK1HSD17B10CYP3A4
SCHEMBL4403048 0.89 TSHR (0.41) TSHRMRGPRX4MAPK1HSD17B10CYP3A4
SCHEMBL4398519 0.88 TSHR (0.51) TSHRMRGPRX4MAPK1HSD17B10CYP3A4
SCHEMBL1822606 0.88 CA12 (0.44) TSHRMAPK1HSD17B10CYP3A4KDM4E
SCHEMBL4407643 0.84 TSHR (0.40) TSHRMAPK1HSD17B10CYP3A4KDM4E
SCHEMBL4403276 0.83 TSHR (0.41) TSHRMRGPRX4MAPK1HSD17B10CYP3A4
SCHEMBL4412766 0.81 TSHR (0.42) TSHRMRGPRX4MAPK1HSD17B10CYP3A4
SCHEMBL4410404 0.81 TSHR (0.47) TSHRMRGPRX4MAPK1HSD17B10CYP3A4
SCHEMBL4398646 0.79 TSHR (0.45) TSHRMRGPRX4MAPK1HSD17B10CYP3A4
SCHEMBL1819165 0.79 CA12 (0.52) TSHRMRGPRX4MAPK1CYP3A4KDM4E

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 3028/4885MRGPRX4 3096/4885MAPK1 91/4885

“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.