SCHEMBL6314933

SCHEMBL6314933

COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3ccccc3OC)c3c2oc2ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 1.00

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
SCHEMBL8803781 0.90 EDNRB (1.00) EDNRB
SCHEMBL8698300 0.89 EDNRB (0.80) EDNRB
SCHEMBL8805492 0.87 EDNRB (0.81) EDNRB
SCHEMBL8804652 0.87 EDNRB (1.00) EDNRB
SCHEMBL8804018 0.86 EDNRB (0.86) EDNRB
SCHEMBL8698304 0.86 EDNRB (0.75) EDNRB
SCHEMBL8805398 0.85 EDNRB (1.00) EDNRB
SCHEMBL6320723 0.85 EDNRB (0.92) EDNRB
SCHEMBL6315724 0.85 EDNRB (0.76) EDNRB
SCHEMBL8804680 0.84 EDNRB (0.86) 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 5 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-6867212-B2 6-(1-fluoroethyl)-5-iodo-4-aminopyrimidine compounds process for preparation of the same and pest controllers for agricultural and horticultural use UBE INDUSTRIES, LTD. (JP) 2005-03-15 US disclosed
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US disclosed
US-20040063945-A1 6-(1-fluoroethyl)-5-iodo-4-aminopyrimidine compounds process for preparation of the same and pest controllers for agricultural and horticultural use MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2004-04-01 US disclosed
EP-1357113-A1 6-(1-FLUOROETHYL)-5-IODO-4-AMINOPYRIMIDINE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME, AND PEST CONTROLLERS FOR AGRICULTURAL AND HORTICULTURAL USE Ube Industries, Ltd. (JP) 2003-10-29 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 (2 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 2/4885
US-20040063945-A1 6-(1-fluoroethyl)-5-iodo-4-aminopyrimidine compounds process for preparation of the same and pest controllers for agricultural and horticultural use CYP4X1, IPO5, IP6K1 EDNRB 4830/4885

“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.