SCHEMBL4403271

SCHEMBL4403271

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
TSHR P16473 4/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.38
MAPT P10636 2/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HNF4A P41235 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.36
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36

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
SCHEMBL4395658 0.91 KDM4E (0.49) KDM4ETSHRHSD17B10CYP3A4LMNA
SCHEMBL4409356 0.88 KDM4E (0.43) KDM4ETSHRHSD17B10MAPTMEN1
SCHEMBL4412474 0.88 TSHR (0.47) KDM4ETSHRHSD17B10CYP3A4MAPT
SCHEMBL4409280 0.86 SMN1; SMN2 (0.41) KDM4ECYP3A4MAPTLMNAHPGD
SCHEMBL4406552 0.82 TSHR (0.41) KDM4ETSHRHSD17B10CYP3A4LMNA
SCHEMBL4395957 0.78 TSHR (0.50) KDM4ETSHRHSD17B10CYP3A4LMNA
SCHEMBL4395632 0.77 HSD17B10 (0.51) KDM4ETSHRHSD17B10MAPTFFAR1
SCHEMBL4412863 0.76 NPC1 (0.43) KDM4EHSD17B10CYP3A4MAPTLMNA
SCHEMBL4405792 0.76 KAT6A (0.43) KDM4EHSD17B10MAPTHPGDMEN1
SCHEMBL4410409 0.76 TSHR (0.45) KDM4ETSHRHSD17B10MAPTLMNA

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 954/4885TSHR 3028/4885HSD17B10 2499/4885

“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.