SCHEMBL17190123

SCHEMBL17190123

COC(C1=CCCC=C1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.72
EDNRA P25101 16/20 0.72
NR1I2 O75469 1/20 0.72
KCNE1 P15382 1/20 0.72
KCNQ1 P51787 1/20 0.72
POLB P06746 1/20 0.72
KMT2A Q03164 1/20 0.54
IL36G Q9NZH8 1/20 0.54

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
Ambrisentan SCHEMBL3679 0.84 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL138157 0.84 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL20769813 0.84 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
Ambrisentan SCHEMBL3023434 0.84 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7934042 0.77 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL2356501 0.76 EDNRB (0.81) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL2352546 0.76 EDNRB (0.81) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL3023827 0.75 EDNRB (0.83) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL3028683 0.75 EDNRB (0.80) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL3023829 0.75 EDNRB (0.83) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533960-B2 Preparation process of carboxylic acid derivatives and intermediates thereof KERN PHARMA, S.L. (ES) 2017-01-03 US disclosed
US-20150299140-A1 PREPARATION PROCESS OF CARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES THEREOF KERN PHARMA, S.L. (ES) 2015-10-22 US disclosed
US-20150299140-A1 PREPARATION PROCESS OF CARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES THEREOF KERN PHARMA, S.L. (ES) 2015-10-22 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-20150299140-A1 PREPARATION PROCESS OF CARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES THEREOF GABRA6, GABRA2, GABRA5 EDNRB 141/4885EDNRA 165/4885NR1I2 4256/4885

“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.