SCHEMBL4855138

SCHEMBL4855138

COc1cc(COc2cc(CO)n(-c3ccccc3)n2)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.50
KDM4E B2RXH2 6/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
TSHR P16473 4/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 5/20 0.40
ALOX15 P16050 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
PPARA Q07869 2/20 0.38
KDR P35968 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 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
SCHEMBL5403603 0.92 PPARG (0.50) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL5393628 0.90 PPARG (0.48) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4851773 0.90 KDR (0.48) PPARGMAPTLMNAPPARAKDR
SCHEMBL4853223 0.89 PPARG (0.49) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL5419140 0.88 PPARG (0.51) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4845763 0.87 PPARG (0.46) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4852719 0.87 PPARG (0.51) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4844111 0.86 PPARG (0.48) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4846782 0.86 PPARG (0.49) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4846790 0.86 PPARG (0.49) PPARGKDM4EMAPTSMN1; SMN2TSHR

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 6 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-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 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
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 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 (2 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 PPARG 433/4885KDM4E 1421/4885MAPT 4614/4885
US-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 PPARG 536/4885KDM4E 719/4885MAPT 4700/4885

“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.