SCHEMBL12228356

SCHEMBL12228356

COc1cc(OC)nc(O[C@H](C(=O)O)C(CO)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.71
EDNRA P25101 20/20 0.71
NR1I2 O75469 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL12228355 0.93 EDNRB (0.72) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL15998749 0.92 EDNRB (0.61) EDNRBEDNRA
SCHEMBL6776058 0.90 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL6853526 0.85 EDNRB (0.67) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL6776490 0.83 EDNRB (0.76) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9369015 0.83 EDNRB (0.76) EDNRBEDNRANR1I2KCNE1KCNQ1
Darusentan SCHEMBL1068546 0.82 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Darusentan SCHEMBL795084 0.82 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL15998715 0.81 EDNRB (0.54) EDNRBEDNRA
SCHEMBL7071036 0.81 EDNRB (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263854-A1 Improved Process For The Preparation Of Endothelin Receptor Antagonists MSN LABORATORIES LIMITED (IN) 2011-10-27 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-20110263854-A1 Improved Process For The Preparation Of Endothelin Receptor Antagonists EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885NR1I2 2109/4885

“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.