SCHEMBL12596035

SCHEMBL12596035

OCc1cc(O)cc2c(-c3ccccc3)c(-c3ccc(O)cc3)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 7/20 0.46
▸ ESR1 P03372 6/20 0.39
▸ PTPN1 P18031 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ ACP1 P24666 2/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FTO Q9C0B1 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL1119237 0.88 ESR1 (0.47) ESR2ESR1PTPN1MEN1KMT2A
SCHEMBL13665499 0.88 MEN1 (0.39) ESR2ESR1PTPN1MEN1KMT2A
SCHEMBL1119294 0.86 ESR2 (0.53) ESR2ESR1PTPN1MEN1KMT2A
SCHEMBL1119209 0.83 ESR1 (0.38) ESR2ESR1PTPN1MEN1KMT2A
SCHEMBL13665183 0.82 HSD17B10 (0.42) ESR2ESR1PTPN1MEN1KMT2A
SCHEMBL1119204 0.81 ESR1 (0.46) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL1119216 0.81 ESR2 (0.46) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL1119210 0.78 ESR2 (0.50) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL1119212 0.77 MEN1 (0.39) ESR2ESR1PTPN1MEN1KMT2A
SCHEMBL1119196 0.77 ESR1 (0.47) ESR2ESR1MEN1KMT2AHSP90AA1

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 2 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 disclosed
US-20110112142-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-05-12 — — US 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 2/4885PTPN1 938/4885

“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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