SCHEMBL15999837

SCHEMBL15999837

CCOC(=O)[C@@H](Oc1nc(OC)cc(OC)n1)C(OC)(c1ccccc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.76
EDNRA P25101 20/20 0.76
NR1I2 O75469 1/20 0.60
KCNE1 P15382 1/20 0.60
KCNQ1 P51787 1/20 0.60
POLB P06746 1/20 0.60

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
SCHEMBL1068402 0.89 EDNRB (0.81) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL2350734 0.89 EDNRB (0.81) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL15991881 0.88 EDNRB (0.77) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9368252 0.87 EDNRB (0.65) EDNRBEDNRA
Darusentan SCHEMBL1068546 0.87 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Darusentan SCHEMBL795084 0.87 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Darusentan SCHEMBL6895168 0.83 EDNRB (0.80) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13673308 0.83 EDNRB (0.65) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13673122 0.83 EDNRB (0.65) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13673107 0.82 EDNRB (0.64) EDNRBEDNRANR1I2KCNE1KCNQ1

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-9040698-B2 Method for preparing optically pure (+)-ambrisentan and (+)-darusentan INSTITUTE OF CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US disclosed
US-20140249309-A1 Method for Preparing Optically Pure (+)-Ambrisentan and (+)-Darusentan INSTITUTE OF CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2014-09-04 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-20140249309-A1 Method for Preparing Optically Pure (+)-Ambrisentan and (+)-Darusentan AKR1D1, AKR1C2, AKR1C1 EDNRB 47/4885EDNRA 30/4885NR1I2 2176/4885

“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.