SCHEMBL4436073

SCHEMBL4436073

[2H]C([2H])([2H])OC(c1ccccc1)(c1ccccc1)[C@H](O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.40
EDNRA P25101 12/20 0.40
NR1I2 O75469 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CES1 P23141 1/20 0.39
KCNN4 O15554 1/20 0.38
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL4440829 1.00 EDNRB (0.40) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL570658 0.87 EDNRB (0.50) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL570417 0.87 EDNRB (0.50) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL1067633 0.87 EDNRB (0.50) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL28227186 0.86 EDNRB (0.49) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL28079222 0.86 EDNRB (0.49) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL28079200 0.86 EDNRB (0.49) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL28079191 0.86 EDNRB (0.49) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL4434013 0.85 KMT2A (0.42) EDNRBEDNRANR1I2KCNE1KCNQ1
Valine SCHEMBL17965930 0.76 SLC7A5 (0.44) 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
EP-2118073-A2 SELECTIVE ENDOTHELIN TYPE-A ANTAGONISTS Concert Pharmaceuticals Inc. (US) 2009-11-18 EP disclosed
US-20080262006-A1 Selective endothelin type-a antagonists CONCERT PHARMACEUTICALS, INC. 2008-10-23 US disclosed
WO-2008097468-A2 SELECTIVE ENDOTHELIN TYPE-A ANTAGONISTS CONCERT PHARMACEUTICALS, INC. (US) 2008-08-14 WO 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-20080262006-A1 Selective endothelin type-a antagonists EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885NR1I2 649/4885

“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.