SCHEMBL5622792

SCHEMBL5622792

Oc1ccc(C2COc3cc(O)cc(Cl)c3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.60
TTR P02766 3/20 0.60
ESR1 P03372 2/20 0.60
ALOX12 P18054 7/20 0.55
ALOX15 P16050 5/20 0.55
ALOX15B O15296 3/20 0.55
CYP3A4 P08684 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SYNJ2 O15056 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP19A1 P11511 3/20 0.36
CA12 O43570 1/20 0.36
SLCO2B1 O94956 1/20 0.36
SHBG P04278 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CALM1 P0DP23 1/20 0.36
AMY1A P0DUB6 1/20 0.36

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
SCHEMBL6944038 0.85 ESR1 (0.63) ESR2TTRESR1ALOX12ALOX15
SCHEMBL3954415 0.85 ESR1 (0.63) ESR2TTRESR1ALOX12ALOX15
SCHEMBL29391808 0.85 ESR1 (0.63) ESR2TTRESR1ALOX12ALOX15
Hydrochloric Acid SCHEMBL4294837 0.84 ESR1 (0.61) ESR2TTRESR1ALOX12ALOX15
SCHEMBL31545141 0.82 ESR2 (0.60) ESR2TTRESR1ALOX12ALOX15
SCHEMBL31545620 0.77 ESR1 (0.53) ESR2TTRESR1ALOX12ALOX15
SCHEMBL13923917 0.75 ALOX15 (0.53) ESR2TTRESR1ALOX12ALOX15
Aus-131 SCHEMBL2002128 0.75 ESR2 (1.00) ESR2TTRESR1ALOX12ALOX15
Aus-131 SCHEMBL677723 0.75 ESR2 (1.00) ESR2TTRESR1ALOX12ALOX15
Aus-131 SCHEMBL43648 0.75 ESR2 (1.00) ESR2TTRESR1ALOX12ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226945-B2 Estrogen receptor-β ligands ASTRAZENECA AB (SE) 2007-06-05 US disclosed
US-7226945-B2 Estrogen receptor-β ligands ASTRAZENECA AB (SE) 2007-06-05 US disclosed
US-7226945-B2 Estrogen receptor-β ligands ASTRAZENECA AB (SE) 2007-06-05 US disclosed
US-20050043350-A9 Estrogen Receptor-beta ligands ASTRAZENECA AB (SE) 2005-02-24 US disclosed
US-20040039015-A1 Estrogen Receptor-beta ligands BARLAAM BERNARD (FR) 2004-02-26 US disclosed
EP-1326593-A1 ESTROGEN RECEPTOR-$g(b) LIGANDS AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2002030407-A1 ESTROGEN RECEPTOR-β LIGANDS ASTRAZENECA AB (SE) 2002-04-18 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 (2 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-20050043350-A9 Estrogen Receptor-beta ligands ESR2, GPER1, ESR1 ESR2 1/4885TTR 3575/4885ESR1 3/4885
US-20040039015-A1 Estrogen Receptor-beta ligands ESR2, GPER1, ESRRG ESR2 1/4885TTR 2703/4885ESR1 6/4885

“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.