SCHEMBL6315607

SCHEMBL6315607

COc1ccc(-c2c(C(=O)O)n(Cc3ccccc3OC)c3c4ccccc4n(C)c23)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.54
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KLK7 P49862 1/20 0.45
TACR1 P25103 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL6313381 0.92 EDNRB (0.55) EDNRBKDM4EALDH1A1HPGDTSHR
SCHEMBL6658792 0.87 EDNRB (0.51) EDNRBKDM4EALDH1A1HPGDTSHR
SCHEMBL8700449 0.82 EDNRB (0.49) EDNRBKDM4EALDH1A1HPGDTSHR
SCHEMBL6659388 0.81 EDNRB (0.53) EDNRBKDM4EALDH1A1HPGDTSHR
SCHEMBL6322272 0.80 EDNRB (0.64) EDNRB
SCHEMBL8698300 0.80 EDNRB (0.80) EDNRB
SCHEMBL795096 0.78 EDNRB (0.62) EDNRBALDH1A1KMT2ATP53
SCHEMBL6315612 0.74 EDNRB (0.49) EDNRBTP53
SCHEMBL8699087 0.72 EDNRB (0.79) EDNRB
SCHEMBL6314933 0.70 EDNRB (1.00) EDNRB

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 8 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
EP-1441721-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GmbH (DE) 2004-08-04 EP claimed
WO-2003039539-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GMBH (DE) 2003-05-15 WO claimed
WO-1998042709-A1 ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-10-01 WO claimed
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US disclosed
EP-1441721-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GmbH (DE) 2004-08-04 EP disclosed
WO-2003039539-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GMBH (DE) 2003-05-15 WO disclosed
WO-1998042709-A1 ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-10-01 WO 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 2/4885KDM4E 3445/4885ALDH1A1 3248/4885

“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.