SCHEMBL5212869

SCHEMBL5212869

COc1cc2c(Oc3ccc(OC4CCC4)cc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PIK3CD O00329 1/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DYRK1A Q13627 1/20 0.36
PARP10 Q53GL7 1/20 0.36
CES2 O00748 1/20 0.35
ACACB O00763 1/20 0.35
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
SCHEMBL4771835 0.98 ESR1 (0.42) ESR1KMT2AMEN1PDE4APDE4B
SCHEMBL6843911 0.97 ESR1 (0.42) ESR1KMT2AMEN1PDE4APDE4B
SCHEMBL5215855 0.97 ESR1 (0.42) ESR1KMT2AMEN1PDE4APDE4B
SCHEMBL5214611 0.89 PDE4B (0.39) ESR1KMT2APDE4APDE4BPDE4C
SCHEMBL5217788 0.88 ESR1 (0.40) ESR1KMT2AMEN1PIK3CDMAPT
SCHEMBL6026576 0.87 ESR1 (0.42) ESR1KMT2AMEN1PDE4APDE4B
SCHEMBL4762952 0.86 KMT2A (0.48) KMT2APIK3CDPDE4APDE4BPDE4C
SCHEMBL4764586 0.86 KMT2A (0.48) KMT2APIK3CDPDE4APDE4BPDE4C
SCHEMBL5210876 0.86 DYRK1A (0.38) ESR1KMT2AMEN1PIK3CDPDE4A
SCHEMBL5214032 0.85 SMN1; SMN2 (0.39) ESR1KMT2AMEN1PIK3CDPDE4A

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 ESR1 911/4885KMT2A 2814/4885MEN1 4169/4885

“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.