SCHEMBL4408304

SCHEMBL4408304

[CH2]/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 15/20 0.74
▸ ESRRG P62508 11/20 0.71
▸ ESRRB O95718 6/20 0.71
▸ ESR2 Q92731 4/20 0.71
▸ MAPT P10636 3/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ TP53 P04637 2/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ PGR P06401 2/20 0.71
▸ KDM4E B2RXH2 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ HIF1A Q16665 1/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.71
▸ PLD2 O14939 1/20 0.71
▸ PLD1 Q13393 1/20 0.71
▸ ESRRA P11474 3/20 0.63
▸ NPC1 O15118 1/20 0.62
▸ NR1I2 O75469 1/20 0.62

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
SCHEMBL4409444 1.00 ESR1 (0.74) ESR1ESRRGESRRBESR2MAPT
SCHEMBL10829107 0.85 ESR1 (1.00) ESR1ESRRGESRRBESR2MAPT
SCHEMBL10048291 0.85 ESR1 (1.00) ESR1ESRRGESRRBESR2MAPT
SCHEMBL20224018 0.84 ESR1 (0.78) ESR1ESRRGESRRBESR2MAPT
Afimoxifene SCHEMBL9189 0.83 ESR1 (1.00) ESR1ESRRGESRRBESR2MAPT
Afimoxifene SCHEMBL2132301 0.83 ESR1 (1.00) ESR1ESRRGESRRBESR2MAPT
Afimoxifene SCHEMBL640496 0.83 ESR1 (1.00) ESR1ESRRGESRRBESR2MAPT
SCHEMBL2165503 0.83 ESR1 (1.00) ESR1ESRRGESRRBESR2MAPT
SCHEMBL15668666 0.83 ESR1 (1.00) ESR1ESRRGESRRBESR2MAPT
SCHEMBL4675620 0.83 ESR1 (0.56) ESR1ESRRGESRRBESR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397382-A4 NOVEL ESTROGEN RECEPTOR LIGAND BINDING DOMAIN VARIANTS AND NOVEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS NOVARTIS AG (CH) 2005-08-24 — — EP claimed
EP-1397382-A2 NOVEL ESTROGEN RECEPTOR LIGAND BINDING DOMAIN VARIANTS AND NOVEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS Novartis AG (CH) 2004-03-17 — — EP claimed
US-20030143559-A1 Novel estrogen receptor ligand binding domain variants and novel ligands and pharmaceutical compositions NOVARTIS AG (CH) 2003-07-31 — — US claimed
WO-2002097050-A2 NOVEL ESTROGEN RECEPTOR LIGAND BINDING DOMAIN VARIANTS AND NOVEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS NOVARTIS AG (CH) 2002-12-05 — — WO claimed
EP-2060582-A1 Novel estrogen receptor ligand binding domain variants and novel ligands and pharmaceutical compositions Novartis Ag (CH) 2009-05-20 — — EP disclosed
EP-1397382-B1 NOVEL ESTROGEN RECEPTOR LIGAND BINDING DOMAIN VARIANTS AND NOVEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS NOVARTIS AG (CH) 2008-08-06 — — EP disclosed
US-7381813-B2 Nucleic acids encoding estrogen receptor ligand binding domain variants NOVARTIS AG (CH) 2008-06-03 — — US disclosed
EP-1397382-A4 NOVEL ESTROGEN RECEPTOR LIGAND BINDING DOMAIN VARIANTS AND NOVEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS NOVARTIS AG (CH) 2005-08-24 — — EP disclosed
EP-1397382-A2 NOVEL ESTROGEN RECEPTOR LIGAND BINDING DOMAIN VARIANTS AND NOVEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS Novartis AG (CH) 2004-03-17 — — EP disclosed
US-20030143559-A1 Novel estrogen receptor ligand binding domain variants and novel ligands and pharmaceutical compositions NOVARTIS AG (CH) 2003-07-31 — — US disclosed
WO-2002097050-A2 NOVEL ESTROGEN RECEPTOR LIGAND BINDING DOMAIN VARIANTS AND NOVEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS NOVARTIS AG (CH) 2002-12-05 — — 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-20030143559-A1 Novel estrogen receptor ligand binding domain variants and novel ligands and pharmaceutical compositions ESRRB, ESRRG, ESRRA ESR1 5/4885ESRRG 2/4885ESRRB 1/4885

“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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