SCHEMBL6314876

SCHEMBL6314876

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3c4ccccc4n(C)c23)cc1OCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.51
EDNRA P25101 6/20 0.51
HTT P42858 1/20 0.38
CCR2 P41597 1/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
PTPN1 P18031 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL795096 0.86 EDNRB (0.62) EDNRBEDNRACCR2KMT2AALDH1A1
SCHEMBL6313613 0.85 EDNRB (0.49) EDNRBEDNRAHTTPTPN1MAPT
SCHEMBL6314849 0.84 EDNRB (0.62) EDNRBEDNRA
SCHEMBL6319417 0.81 EDNRB (0.50) EDNRBEDNRAKMT2AATMKDM4E
SCHEMBL6313623 0.80 EDNRB (0.51) EDNRBEDNRAKDM4EPLA2G1BPLA2G2A
SCHEMBL6314856 0.79 EDNRB (0.52) EDNRBEDNRAKMT2AKDM4EPLA2G1B
SCHEMBL6663213 0.78 EDNRB (0.44) EDNRBEDNRAHTTPLA2G1BPLA2G2A
SCHEMBL6658446 0.77 EDNRB (0.61) EDNRBEDNRAMAPT
SCHEMBL8553006 0.76 EDNRB (0.62) EDNRBEDNRAKDM4EPLA2G1BPLA2G2A
SCHEMBL8551759 0.75 EDNRB (0.62) EDNRBEDNRA

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 2 patents. 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 claimed
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 1/4885HTT 1550/4885

“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.