SCHEMBL1119294

SCHEMBL1119294

N#CCc1cc(O)cc2c(-c3ccccc3)c(-c3ccc(O)cc3)oc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 8/20 0.53
▸ ESR1 P03372 7/20 0.53
▸ MMP3 P08254 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ USP7 Q93009 1/20 0.36
▸ PTPN1 P18031 3/20 0.35
▸ ACP1 P24666 2/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ BCL2L1 Q07817 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 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
SCHEMBL12596035 0.86 ESR2 (0.46) ESR2ESR1MMP3ALDH1A1ALOX15
SCHEMBL1119237 0.85 ESR1 (0.47) ESR2ESR1MMP3ALDH1A1ALOX15
SCHEMBL13665499 0.85 MEN1 (0.39) ESR2ESR1MMP3ALDH1A1ALOX15
SCHEMBL1119210 0.81 ESR2 (0.50) ESR2ESR1MMP3ALDH1A1ALOX15
SCHEMBL1119209 0.80 ESR1 (0.38) ESR2ESR1ALDH1A1HSD17B10MEN1
SCHEMBL13665183 0.79 HSD17B10 (0.42) ESR2ESR1MMP3ALDH1A1ALOX15
SCHEMBL1119216 0.78 ESR2 (0.46) ESR2ESR1MMP3ALDH1A1ALOX15
SCHEMBL1119204 0.78 ESR1 (0.46) ESR2ESR1MMP3ALDH1A1ALOX15
SCHEMBL1119212 0.74 MEN1 (0.39) ESR2ESR1MMP3ALDH1A1ALOX15
SCHEMBL1119196 0.74 ESR1 (0.47) ESR2ESR1MMP3ALDH1A1ALOX15

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 9 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
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
US-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-05-12 — — US disclosed
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 2/4885MMP3 2919/4885

“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.

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