SCHEMBL12702983

SCHEMBL12702983

O=C(O[C@@H]1COC2C1OC[C@H]2O)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 17/20 0.59
▸ HSP90AA1 P07900 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ MAPT P10636 1/20 0.42

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
SCHEMBL12411488 1.00 BCHE (0.59) BCHEHSP90AA1PTPN1MAPT
SCHEMBL12942000 1.00 BCHE (0.59) BCHEHSP90AA1PTPN1MAPT
SCHEMBL12411490 1.00 BCHE (0.59) BCHEHSP90AA1PTPN1MAPT
SCHEMBL19178469 0.94 BCHE (0.57) BCHEPTPN1MAPT
SCHEMBL13367641 0.92 BCHE (0.66) BCHEHSP90AA1PTPN1
SCHEMBL12702984 0.92 BCHE (0.66) BCHEHSP90AA1PTPN1
SCHEMBL12411417 0.92 BCHE (0.66) BCHEHSP90AA1PTPN1
SCHEMBL7530640 0.92 BCHE (0.66) BCHEHSP90AA1PTPN1
SCHEMBL9946847 0.92 BCHE (0.66) BCHEHSP90AA1PTPN1
SCHEMBL18306889 0.92 BCHE (0.66) BCHEHSP90AA1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092718-A1 POLYMERIZABLE CHIRAL COMPOUNDS COMPRISING 2,6-NAPHTHYL AND ISOMANNITOL UNITS, AND USE THEREOF AS CHIRAL DOPANTS BASF SE (DE) 2011-04-21 — — US disclosed
US-20110092718-A1 POLYMERIZABLE CHIRAL COMPOUNDS COMPRISING 2,6-NAPHTHYL AND ISOMANNITOL UNITS, AND USE THEREOF AS CHIRAL DOPANTS BASF SE (DE) 2011-04-21 — — US disclosed
WO-2009153168-A1 POLYMERIZABLE CHIRAL COMPOUNDS CONTAINING 2,6-NAPHTHYL- AND ISOMANNITE UNITS, AND USE THEREOF AS CHIRAL DOPANTS BASF SE (DE) 2009-12-23 — — 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-20110092718-A1 POLYMERIZABLE CHIRAL COMPOUNDS COMPRISING 2,6-NAPHTHYL AND ISOMANNITOL UNITS, AND USE THEREOF AS CHIRAL DOPANTS ST6GAL1, H1-0, B4GALT1 BCHE 3992/4885HSP90AA1 4762/4885PTPN1 1634/4885

“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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