SCHEMBL4845689

SCHEMBL4845689

CCOc1cc(CCl)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.53
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
LMNA P02545 4/20 0.50
MAPK1 P28482 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 6/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 4/20 0.43
ANO1 Q5XXA6 1/20 0.41
MAPT P10636 3/20 0.40
PPARA Q07869 1/20 0.39
TP53 P04637 2/20 0.39
LCLAT1 Q6UWP7 3/20 0.38
CYP3A4 P08684 2/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1732725 0.91 PPARG (0.62) PPARGKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1731572 0.91 PPARG (0.58) PPARGKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4845337 0.90 PPARG (0.53) PPARGKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4848828 0.88 PPARG (0.50) PPARGKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4845693 0.87 PPARG (0.49) PPARGKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5377215 0.84 KDR (0.52) PPARGKDM4EHSD17B10LMNARAB9A
SCHEMBL4852631 0.83 ALDH1A1 (0.49) PPARGKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4850066 0.82 PPARG (0.49) PPARGKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4033057 0.82 FFAR1 (0.48) PPARGKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4033219 0.81 PPARG (0.43) PPARGKDM4EALDH1A1HPGDHSD17B10

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 719/4885ALDH1A1 821/4885

“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.