SCHEMBL564303

SCHEMBL564303

COCc1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C(=O)O)cc3c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.39
PDE4D Q08499 5/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
APP P05067 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
KAT2B Q92831 1/20 0.34
SRD5A2 P31213 2/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SRD5A1 P18405 1/20 0.34
ATM Q13315 4/20 0.33
KCNH2 Q12809 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
SCHEMBL564673 0.92 PDE4D (0.38) GCKPDE4DPDE4APDE4BPDE4C
SCHEMBL563584 0.90 KDM4E (0.40) GCKPDE4DPDE4APDE4BPDE4C
SCHEMBL564288 0.89 PDE4D (0.34) GCKPDE4DPDE4APDE4BPDE4C
SCHEMBL563680 0.88 GCK (0.35) GCKPDE4DKAT2BKMT2APIK3CA
SCHEMBL563661 0.86 PDE4D (0.35) GCKPDE4DPDE4APDE4BPDE4C
SCHEMBL1076900 0.85 HPGD (0.44) GCKMAPTKDM4EALDH1A1HPGD
SCHEMBL563828 0.84 GCK (0.39) GCKKMT2APIK3CA
SCHEMBL564680 0.84 KDM4E (0.37) GCKPDE4DPDE4APDE4BPDE4C
SCHEMBL564443 0.83 GCK (0.36) GCKPDE4DAPPMAPTP2RX3
SCHEMBL564327 0.82 APP (0.32) GCKPDE4DPDE4APDE4BPDE4C

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 GCK 5/4885PDE4D 1302/4885PDE4A 955/4885

“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.