SCHEMBL4848830

SCHEMBL4848830

COc1cc(COc2nc(-c3ccccc3)ncc2/C=C/P(=O)(O)O)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
MAPT P10636 8/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 3/20 0.44
PPARA Q07869 1/20 0.39
ALOX15 P16050 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
SMPD1 P17405 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
LCLAT1 Q6UWP7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 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
SCHEMBL4845809 1.00 PPARG (0.48) PPARGMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4845725 1.00 PPARG (0.48) PPARGMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4848159 0.90 PPARG (0.51) PPARGMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4848155 0.86 PPARG (0.52) PPARGMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4854473 0.86 PPARG (0.51) PPARGMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4854412 0.86 PPARG (0.51) PPARGMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4850970 0.85 PPARG (0.50) PPARGMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4845581 0.84 PPARG (0.47) PPARGMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4854532 0.84 PPARG (0.47) PPARGMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4845589 0.84 PPARG (0.47) PPARGMAPTKDM4EALDH1A1SMN1; SMN2

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 PPARG 536/4885MAPT 4700/4885KDM4E 719/4885

“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.