SCHEMBL4054837

SCHEMBL4054837

CCCCCCOc1cccc(-c2nc3ccc(-c4ccc(F)cc4F)cc3o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 2/20 0.46
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
VSIR Q9H7M9 2/20 0.43

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
SCHEMBL4054393 0.90 VSIR (0.53) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4231839 0.87 GPR119 (0.46) UTRNMAPTMEN1KMT2AKDM4E
SCHEMBL4051596 0.83 GPR119 (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4055472 0.82 GPR119 (0.52) UTRNVSIRGPR119
SCHEMBL4053094 0.82 FFAR1 (0.51) UTRNMEN1KMT2AKDM4EALDH1A1
SCHEMBL4050525 0.81 GPR119 (0.51) UTRNMAPTKDM4EALDH1A1TP53
SCHEMBL4058058 0.81 CEPT1 (0.50) UTRNMAPTKDM4EALDH1A1TP53
SCHEMBL4059113 0.81 MAPT (0.48) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4051619 0.80 MAPT (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13608541 0.79 GPR119 (0.49) UTRNCASP3RAB9ASMN1; SMN2VSIR

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 UTRN 4874/4885MAPT 4026/4885MEN1 3709/4885

“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.