SCHEMBL13662087

SCHEMBL13662087

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.64
EDNRA P25101 16/20 0.64
NR1I2 O75469 1/20 0.64
KCNE1 P15382 1/20 0.64
KCNQ1 P51787 1/20 0.64
POLB P06746 1/20 0.64
IL36G Q9NZH8 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL7934951 0.82 EDNRB (0.49) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL30657564 0.79 EDNRB (0.65) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL20769813 0.78 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL138157 0.78 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL3023434 0.78 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL3679 0.78 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL2352546 0.76 EDNRB (0.81) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL2356501 0.76 EDNRB (0.81) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL15991881 0.74 EDNRB (0.77) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL3028683 0.74 EDNRB (0.80) 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-20090258075-A1 Respiratory Drug Condensation Aerosols and Methods of Making and Using Them ALEXZA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-7550133-B2 Respiratory drug condensation aerosols and methods of making and using them ALEXZA PHARMACEUTICALS, INC. (US) 2009-06-23 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-20090258075-A1 Respiratory Drug Condensation Aerosols and Methods of Making and Using Them LTC4S, PTGER1, PTGES EDNRB 239/4885EDNRA 302/4885NR1I2 1427/4885

“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.