SCHEMBL1119217

SCHEMBL1119217

N#Cc1cc(O)cc2c(-c3ccsc3)c(-c3ccc(O)cc3)oc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 14/20 0.47
ESR1 P03372 13/20 0.47
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSP90AA1 P07900 1/20 0.37
ESRRB O95718 1/20 0.36
ESRRA P11474 1/20 0.36
ALDH1A1 P00352 1/20 0.34
FGB P02675 1/20 0.34
HPGD P15428 1/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
RECQL P46063 1/20 0.34
TNNC1 P63316 1/20 0.34
ERN1 O75460 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL1119210 0.83 ESR2 (0.50) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL1119199 0.82 ESR1 (0.43) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL1119206 0.82 ESR2 (0.43) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL1119242 0.80 ESR2 (0.47) ESR2ESR1MEN1KMT2AESRRB
SCHEMBL1119222 0.79 ERN1 (0.49) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL1119290 0.79 ESR2 (0.44) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL1119215 0.79 MEN1 (0.36) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL1119246 0.74 ESR2 (0.38) ESR2ESR1ESRRBESRRAAR
SCHEMBL1119260 0.74 ESR2 (0.38) ESR2ESR1ESRRBESRRAALDH1A1
SCHEMBL1119198 0.70 ESR2 (0.49) ESR2ESR1MEN1KMT2AESRRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-05-12 US claimed
CN-101998852-A Novel estrogen receptor ligands KAROBIO AB 2011-03-30 CN claimed
EP-2280699-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-02-09 EP claimed
WO-2009124968-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-15 WO claimed
US-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-05-12 US disclosed
CN-101998852-A Novel estrogen receptor ligands KAROBIO AB 2011-03-30 CN disclosed
EP-2280699-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-02-09 EP disclosed
WO-2009124968-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-15 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-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR2, ESR1, ESRRA ESR2 1/4885ESR1 2/4885MEN1 4374/4885

“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.