SCHEMBL564680

SCHEMBL564680

CCOC(=O)c1cc2cc(Oc3ccc(COCCOC)nc3)cc(OC3CCOCC3)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.34
BCHE P06276 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
APP P05067 1/20 0.34
PDE4D Q08499 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 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
SCHEMBL563584 0.93 KDM4E (0.40) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL563661 0.90 PDE4D (0.35) MAPTAPPPDE4DPDE4APDE4B
SCHEMBL564327 0.87 APP (0.32) MAPTAPPPDE4DPDE4APDE4B
SCHEMBL565153 0.86 KDM4E (0.37) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL564303 0.84 GCK (0.39) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL564673 0.83 PDE4D (0.38) MAPTAPPPDE4DPDE4APDE4B
SCHEMBL564829 0.82 KDM4E (0.38) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL10240492 0.82 APP (0.31) MAPTAPPP2RX3P2RX2GCK
SCHEMBL563780 0.80 GCK (0.34) MAPTAPPGCK
SCHEMBL564288 0.80 PDE4D (0.34) MAPTAPPPDE4DPDE4APDE4B

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-8557805-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-15 US disclosed
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2371826-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-10-05 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-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 KDM4E 1414/4885NPC1 714/4885ALDH1A1 351/4885

“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.