SCHEMBL13673111

SCHEMBL13673111

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

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.64
EDNRA P25101 20/20 0.64
NR1I2 O75469 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL13673308 0.99 EDNRB (0.65) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13673122 0.97 EDNRB (0.65) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13673107 0.90 EDNRB (0.64) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13673307 0.88 EDNRB (0.64) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13673125 0.88 EDNRB (0.56) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13673022 0.87 EDNRB (0.59) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13673317 0.86 EDNRB (0.64) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13673025 0.86 EDNRB (0.60) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13668973 0.85 EDNRB (0.61) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13668975 0.84 EDNRB (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090263472-A1 ENDOTHELIN RECEPTOR ANTAGONIST DERIVATIVES NICOX S.A. (FR) 2009-10-22 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-20090263472-A1 ENDOTHELIN RECEPTOR ANTAGONIST DERIVATIVES EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885NR1I2 201/4885

“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.