SCHEMBL4053064

SCHEMBL4053064

N#CCCCOc1cccc(-c2nc3ccc(-c4ccco4)cc3o2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.42
GPR119 Q8TDV5 8/20 0.42
VSIR Q9H7M9 1/20 0.42
TLR7 Q9NYK1 5/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NPC1 O15118 2/20 0.40
PDE3B Q13370 1/20 0.40

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
SCHEMBL4055094 0.88 TLR9 (0.50) TLR9GPR119VSIRTLR7KDM4E
SCHEMBL4056908 0.87 MAPT (0.53) TLR9GPR119TLR7KDM4EALDH1A1
SCHEMBL13608726 0.85 KDM4E (0.39) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4236875 0.85 GPR119 (0.49) GPR119TLR7KDM4EALDH1A1HPGD
SCHEMBL4059113 0.85 MAPT (0.48) TLR9GPR119TLR7KDM4EALDH1A1
SCHEMBL4057880 0.85 MCL1 (0.46) GPR119TLR7KDM4EALDH1A1HPGD
SCHEMBL4062354 0.83 TLR9 (0.45) TLR9GPR119TLR7KDM4EALDH1A1
SCHEMBL4059361 0.83 VSIR (0.53) TLR9GPR119VSIRTLR7KDM4E
SCHEMBL4052985 0.83 ALDH1A1 (0.60) GPR119KDM4EALDH1A1HPGDRAB9A
SCHEMBL4054658 0.81 GPR119 (0.58) GPR119VSIRKDM4EALDH1A1HPGD

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B TLR9 2579/4885GPR119 1677/4885VSIR 4618/4885

“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.