SCHEMBL4853699

SCHEMBL4853699

CCOc1cc(COc2nn(-c3ccccc3)cc2/C=C/P(=O)(O)O)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
KDM4E B2RXH2 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 6/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 2/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
PPARA Q07869 4/20 0.35
LCLAT1 Q6UWP7 6/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL4853711 1.00 PPARG (0.41) PPARGKDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL4854532 0.94 PPARG (0.47) PPARGKDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL4845581 0.94 PPARG (0.47) PPARGKDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL4845589 0.94 PPARG (0.47) PPARGKDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL4852616 0.90 PPARG (0.43) PPARGKDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL4852262 0.89 PPARG (0.46) PPARGKDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL4852274 0.89 PPARG (0.46) PPARGKDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL4843713 0.88 PPARG (0.42) PPARGMAPTPPARA
SCHEMBL4843699 0.88 PPARG (0.42) PPARGMAPTPPARA
SCHEMBL4851972 0.86 PPARG (0.36) PPARGKDM4EALDH1A1HPGDPPARA

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 719/4885SMN1; SMN2 4339/4885

“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.