SCHEMBL4059581

SCHEMBL4059581

Fc1cccc(-c2nc3ccc(-c4ccco4)cc3o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 1/20 0.54
GPR119 Q8TDV5 4/20 0.53
UTRN P46939 2/20 0.49
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
ALOX5 P09917 1/20 0.47
MAOB P27338 2/20 0.46
ADORA2A P29274 2/20 0.46
HPN P05981 1/20 0.44
CLK4 Q9HAZ1 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL4062585 0.90 GPR119 (0.52) VSIRGPR119PIK3R1PIK3CAALOX5
SCHEMBL4061714 0.85 ALOX5 (0.56) GPR119PIK3R1PIK3CAALOX5ADORA2A
SCHEMBL4051830 0.85 RAB9A (0.55) GPR119ALOX5NPC1RAB9AKDM4E
SCHEMBL4051901 0.85 NPC1 (0.62) GPR119ALOX5ADORA2ANPC1RAB9A
SCHEMBL4055539 0.84 GPR119 (0.45) GPR119UTRNPIK3R1PIK3CAALOX5
SCHEMBL4059615 0.82 RAB9A (0.60) GPR119UTRNNPC1RAB9AKDM4E
SCHEMBL4054470 0.82 ADORA1 (0.47) GPR119ALOX5NPC1RAB9AESR1
SCHEMBL4059341 0.82 GPR119 (0.43) VSIRGPR119PIK3R1PIK3CAALOX5
SCHEMBL4053161 0.82 ALOX5 (0.52) GPR119UTRNALOX5ADORA2ANPC1
SCHEMBL4050933 0.81 ALOX5 (0.47) VSIRGPR119PIK3R1PIK3CAALOX5

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 5 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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
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 VSIR 4618/4885GPR119 1677/4885UTRN 4874/4885

“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.