SCHEMBL4846866

SCHEMBL4846866

COc1cc(COc2nn(-c3ccccc3)cc2/C=C/C(=O)O)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.46
PTGER2 P43116 3/20 0.46
PPARG P37231 6/20 0.46
PPARA Q07869 6/20 0.46
MAPT P10636 2/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR1 O14842 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA2 P00918 2/20 0.41
CA5A P35218 2/20 0.41
CA9 Q16790 2/20 0.41

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
SCHEMBL4846879 1.00 PTGER4 (0.46) PTGER4PTGER2PPARGPPARAMAPT
SCHEMBL4849246 0.93 PTPN1 (0.42) PTGER4PTGER2PPARGPPARAMAPT
SCHEMBL4846076 0.93 PTPN1 (0.42) PTGER4PTGER2PPARGPPARAMAPT
SCHEMBL4845536 0.91 PPARG (0.46) PPARGPPARAMAPTFFAR1KDR
SCHEMBL4845621 0.91 PPARG (0.48) PTGER4PTGER2PPARGPPARAMAPT
SCHEMBL4845632 0.91 PPARG (0.48) PTGER4PTGER2PPARGPPARAMAPT
SCHEMBL4845730 0.90 PPARG (0.43) PPARGPPARAMAPTPOLBFFAR1
SCHEMBL4845738 0.90 PPARG (0.43) PPARGPPARAMAPTPOLBFFAR1
SCHEMBL4846783 0.88 PPARG (0.55) PPARGPPARAMAPTFFAR1KDR
SCHEMBL4848585 0.88 PPARG (0.41) PPARGPPARAMAPTPOLBFFAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 PTGER4 2570/4885PTGER2 4130/4885PPARG 536/4885

“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.