SCHEMBL6314856

SCHEMBL6314856

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3cc4cccoc-4c23)cc1OCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.52
EDNRA P25101 9/20 0.52
PLA2G1B P04054 3/20 0.34
PLA2G2A P14555 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G5 P39877 1/20 0.33
PLA2G2E Q9NZK7 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
SCHEMBL6316183 0.86 EDNRB (0.61) EDNRBEDNRAKDM4EMEN1LMNA
SCHEMBL6313623 0.86 EDNRB (0.51) EDNRBEDNRAPLA2G1BPLA2G2AKDM4E
SCHEMBL6319417 0.85 EDNRB (0.50) EDNRBEDNRAPLA2G1BPLA2G2AKDM4E
SCHEMBL6314876 0.79 EDNRB (0.51) EDNRBEDNRAPLA2G1BPLA2G2AKDM4E
SCHEMBL6314849 0.79 EDNRB (0.62) EDNRBEDNRA
SCHEMBL8553006 0.78 EDNRB (0.62) EDNRBEDNRAPLA2G1BPLA2G2AKDM4E
SCHEMBL6313613 0.78 EDNRB (0.49) EDNRBEDNRALMNATSHR
SCHEMBL8546347 0.74 EDNRB (0.66) EDNRBEDNRA
SCHEMBL6658446 0.73 EDNRB (0.61) EDNRBEDNRA
SCHEMBL8551194 0.73 EDNRB (0.64) EDNRBEDNRAPLA2G2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US 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-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885PLA2G1B 2549/4885

“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.