SCHEMBL4850369

SCHEMBL4850369

CCOP(=O)(/C=C/c1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccccc3C(=O)O)oc2C)c(OC)c1)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.38
PPARA Q07869 5/20 0.38
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
APP P05067 1/20 0.34
LMNA P02545 2/20 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
SCHEMBL4850379 1.00 PPARG (0.38) PPARGPPARAALDH1A1HPGDMEN1
SCHEMBL4850366 0.96 VDR (0.36) PPARGPPARAMEN1KMT2AMAPT
SCHEMBL4850375 0.96 VDR (0.36) PPARGPPARAMEN1KMT2AMAPT
SCHEMBL4850483 0.92 PPARG (0.40) PPARGPPARAALDH1A1HPGDKMT2A
SCHEMBL4850472 0.92 PPARG (0.40) PPARGPPARAALDH1A1HPGDKMT2A
SCHEMBL4851720 0.92 PPARG (0.36) PPARGPPARAALDH1A1HPGDMEN1
SCHEMBL4851715 0.92 PPARG (0.36) PPARGPPARAALDH1A1HPGDMEN1
SCHEMBL6236052 0.91 PPARG (0.39) PPARGPPARAALDH1A1HPGDKMT2A
SCHEMBL6236046 0.91 PPARG (0.39) PPARGPPARAALDH1A1HPGDKMT2A
SCHEMBL4845278 0.90 MAPT (0.43) PPARGPPARAMEN1KMT2AMAPT

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 536/4885PPARA 519/4885ALDH1A1 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.