SCHEMBL5214530

SCHEMBL5214530

COc1cc2c(Oc3ccc(Oc4ccccc4)cc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.42
ESR1 P03372 5/20 0.42
TTR P02766 1/20 0.41
PDGFRB P09619 1/20 0.40
LTA4H P09960 1/20 0.40
NUDT1 P36639 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTPN1 P18031 1/20 0.37
PTPRA P18433 1/20 0.37

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
SCHEMBL5215532 0.98 EDNRA (0.44) EDNRAESR1TTRPDGFRBNUDT1
SCHEMBL5766360 0.93 MAP3K8 (0.42) EDNRAESR1L3MBTL1MCL1
SCHEMBL5213763 0.93 EDNRA (0.44) EDNRAESR1TTRNUDT1MEN1
SCHEMBL5217744 0.91 MAOB (0.43) EDNRAESR1TTRL3MBTL1POLB
SCHEMBL5742938 0.90 LPAR1 (0.44) EDNRAESR1POLBMAPT
SCHEMBL5213439 0.90 ESR1 (0.40) EDNRAESR1MEN1KMT2AMCL1
SCHEMBL5215280 0.89 ESR1 (0.43) ESR1L3MBTL1MCL1KDM4EPOLB
SCHEMBL4770247 0.89 ESR1 (0.38) EDNRAESR1MEN1KMT2AL3MBTL1
SCHEMBL4762793 0.89 ESR1 (0.43) ESR1L3MBTL1
SCHEMBL5211846 0.89 EDNRA (0.41) EDNRAESR1TTRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636213-B1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER LAMBERT CO (US) 2007-06-13 EP disclosed
EP-1636213-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents BRUENDL MICHELLE M (US) 2004-12-23 US disclosed
WO-2004108715-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 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-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents MALT1, CYP1B1, CYP4B1 EDNRA 1664/4885ESR1 911/4885TTR 1522/4885

“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.