SCHEMBL12411448

SCHEMBL12411448

O=C(O[C@H]1COC2C1OC[C@H]2OC(=O)c1ccc(-c2ccc(O)cc2)cc1)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 15/20 0.62
▸ PTPN1 P18031 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL18306889 0.95 BCHE (0.66) BCHEPTPN1HSP90AA1
SCHEMBL12702984 0.95 BCHE (0.66) BCHEPTPN1HSP90AA1
SCHEMBL13367641 0.95 BCHE (0.66) BCHEPTPN1HSP90AA1
SCHEMBL7530640 0.95 BCHE (0.66) BCHEPTPN1HSP90AA1
SCHEMBL9946847 0.95 BCHE (0.66) BCHEPTPN1HSP90AA1
SCHEMBL12411417 0.95 BCHE (0.66) BCHEPTPN1HSP90AA1
SCHEMBL12411488 0.88 BCHE (0.59) BCHEPTPN1HSP90AA1
SCHEMBL14877911 0.88 BCHE (0.59) BCHEPTPN1HSP90AA1
SCHEMBL12411490 0.88 BCHE (0.59) BCHEPTPN1HSP90AA1
SCHEMBL12942000 0.88 BCHE (0.59) BCHEPTPN1HSP90AA1

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-8334393-B2 Chiral compounds and liquid crystal compositions and polymer networks derived therefrom E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-18 — — US disclosed
US-8334393-B2 Chiral compounds and liquid crystal compositions and polymer networks derived therefrom E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-18 — — US disclosed
US-20110163267-A1 CHIRAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-07 — — US disclosed
US-20110163267-A1 CHIRAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-07 — — US disclosed
US-7914700-B2 Liquid crystal compositions and polymer networks derived therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-29 — — US disclosed
US-7914700-B2 Liquid crystal compositions and polymer networks derived therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-29 — — US disclosed
US-20070267599-A1 Liquid crystal compositions and polymer networks derived therefrom GOLDFINGER MARC B 2007-11-22 — — US disclosed
US-20070267599-A1 Liquid crystal compositions and polymer networks derived therefrom GOLDFINGER MARC B 2007-11-22 — — US disclosed
WO-2007120459-A2 CHIRAL DIOLE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-25 — — 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-20070267599-A1 Liquid crystal compositions and polymer networks derived therefrom F2, CCNB1, CYP2F1 BCHE 4080/4885PTPN1 1979/4885HSP90AA1 4770/4885
US-20110163267-A1 CHIRAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM CCNB1, F2, CYP4F11 BCHE 3686/4885PTPN1 2046/4885HSP90AA1 4811/4885

“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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