SCHEMBL2362095

SCHEMBL2362095

C=CCOC(=O)C(O)C(OC)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.39
EDNRB P24530 9/20 0.39
EDNRA P25101 9/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1I2 O75469 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
MAPK1 P28482 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2362091 1.00 CYP3A4 (0.44) CYP3A4ALDH1A1TSHRHSD17B10EDNRB
SCHEMBL28101975 0.82 EDNRB (0.46) TSHRHSD17B10EDNRBEDNRASMN1; SMN2
SCHEMBL15991494 0.82 EDNRB (0.46) TSHRHSD17B10EDNRBEDNRASMN1; SMN2
SCHEMBL2354447 0.80 KMT2A (0.47) TSHREDNRBEDNRANR1I2KCNE1
SCHEMBL571027 0.80 KMT2A (0.47) TSHREDNRBEDNRANR1I2KCNE1
SCHEMBL8013901 0.79 ALDH1A1 (0.49) ALDH1A1EDNRBEDNRANR1I2KCNE1
SCHEMBL570658 0.76 EDNRB (0.50) TSHREDNRBEDNRANR1I2KCNE1
SCHEMBL570417 0.76 EDNRB (0.50) TSHREDNRBEDNRANR1I2KCNE1
SCHEMBL1067633 0.76 EDNRB (0.50) TSHREDNRBEDNRANR1I2KCNE1
SCHEMBL14886539 0.75 EDNRB (0.46) TSHREDNRBEDNRANR1I2KCNE1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263854-A1 Improved Process For The Preparation Of Endothelin Receptor Antagonists MSN LABORATORIES LIMITED (IN) 2011-10-27 US claimed
EP-2350024-A2 IMPROVED PROCESS FOR THE PREPARATION OF ENDOTHELIN RECEPTOR ANTAGONISTS MSN Laboratories Limited (IN) 2011-08-03 EP claimed
WO-2010070658-A2 IMPROVED PROCESS FOR THE PREPARATION OF ENDOTHELIN RECEPTOR ANTAGONISTS MSN LABORATORIES LIMITED (IN) 2010-06-24 WO claimed
US-8404840-B2 Process for the preparation of endothelin receptor antagonists MSN LABORATORIES LIMITED (IL) 2013-03-26 US disclosed
US-20110263854-A1 Improved Process For The Preparation Of Endothelin Receptor Antagonists MSN LABORATORIES LIMITED (IN) 2011-10-27 US disclosed
EP-2350024-A2 IMPROVED PROCESS FOR THE PREPARATION OF ENDOTHELIN RECEPTOR ANTAGONISTS MSN Laboratories Limited (IN) 2011-08-03 EP disclosed
WO-2010070658-A2 IMPROVED PROCESS FOR THE PREPARATION OF ENDOTHELIN RECEPTOR ANTAGONISTS MSN LABORATORIES LIMITED (IN) 2010-06-24 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-20110263854-A1 Improved Process For The Preparation Of Endothelin Receptor Antagonists EDNRA, EDNRB, ECE1 CYP3A4 273/4885ALDH1A1 4222/4885TSHR 175/4885

“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.