SCHEMBL6316183

SCHEMBL6316183

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3cc4cccoc-4c23)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.61
EDNRA P25101 6/20 0.51
TP53 P04637 3/20 0.41
PPARG P37231 3/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3CD O00329 1/20 0.37

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
SCHEMBL6314856 0.86 EDNRB (0.52) EDNRBEDNRAKDM4EMEN1LMNA
SCHEMBL6313759 0.84 EDNRB (0.62) EDNRBEDNRATP53PPARGKDM4E
SCHEMBL6315758 0.83 EDNRB (0.61) EDNRBEDNRATP53PPARGKDM4E
SCHEMBL8553492 0.83 EDNRB (0.64) EDNRBEDNRATP53PPARG
SCHEMBL8551194 0.83 EDNRB (0.64) EDNRBEDNRATP53POLB
SCHEMBL8547579 0.81 EDNRB (0.64) EDNRBEDNRAMEN1NPC1KMT2A
SCHEMBL8548527 0.81 EDNRB (0.73) EDNRBEDNRATP53POLB
SCHEMBL8550228 0.81 EDNRB (0.85) EDNRBEDNRA
SCHEMBL8553006 0.79 EDNRB (0.62) EDNRBEDNRAKDM4EHPGDHSD17B10
SCHEMBL8550885 0.79 EDNRB (0.74) EDNRBEDNRATP53MEN1NPC1

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 1/4885TP53 1845/4885

“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.