SCHEMBL4849269

SCHEMBL4849269

COc1cc(COc2nn(-c3ccccc3)cc2/C=C(/O)P(=O)(O)O)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.47
KDM4E B2RXH2 4/20 0.42
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 3/20 0.36
ALOX15 P16050 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
PPARA Q07869 5/20 0.36
ADORA3 P0DMS8 3/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL4849276 1.00 PPARG (0.47) PPARGKDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL4849255 1.00 PPARG (0.47) PPARGKDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL4854532 0.91 PPARG (0.47) PPARGKDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL4845589 0.91 PPARG (0.47) PPARGKDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL4845581 0.91 PPARG (0.47) PPARGKDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL4848460 0.90 PPARG (0.51) PPARGKDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL4852274 0.89 PPARG (0.46) PPARGKDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL4852262 0.89 PPARG (0.46) PPARGKDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL4845812 0.88 PPARG (0.46) PPARGKDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL4845632 0.88 PPARG (0.48) PPARGKDM4ETSHRSMN1; SMN2HSD17B10

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 536/4885KDM4E 719/4885TSHR 2067/4885

“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.