SCHEMBL4848964

SCHEMBL4848964

CCOP(=O)(/C=C/c1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccc(C)c(C(=O)O)c3)oc2CC)c(OC)c1)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 4/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 5/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 5/20 0.33
RXFP1 Q9HBX9 1/20 0.33
VDR P11473 1/20 0.33
MEN1 O00255 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL4848970 1.00 PPARG (0.36) PPARGPPARAALDH1A1HPGDKDM4E
SCHEMBL6236052 0.95 PPARG (0.39) PPARGPPARAALDH1A1HPGDKDM4E
SCHEMBL6236046 0.95 PPARG (0.39) PPARGPPARAALDH1A1HPGDKDM4E
SCHEMBL4850483 0.91 PPARG (0.40) PPARGPPARAALDH1A1HPGDKDM4E
SCHEMBL4850472 0.91 PPARG (0.40) PPARGPPARAALDH1A1HPGDKDM4E
SCHEMBL4845611 0.91 MAPT (0.38) PPARGPPARAALDH1A1HPGDKDM4E
SCHEMBL4845620 0.91 MAPT (0.38) PPARGPPARAALDH1A1HPGDKDM4E
SCHEMBL4850617 0.88 MAPT (0.38) PPARGPPARAALDH1A1HPGDKDM4E
SCHEMBL4850607 0.88 MAPT (0.38) PPARGPPARAALDH1A1HPGDKDM4E
SCHEMBL4845278 0.88 MAPT (0.43) PPARGPPARAMAPTTP53KMT2A

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 2 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

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.