Sugi Predict

Sugi Predict / Compounds / SCHEMBL777676

SCHEMBL777676

SCHEMBL777676

C=CC(=O)OCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCCCOC(=O)C=C)cc3)c(C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ SLC22A2 O15244 1/20 0.43
▸ TMPRSS2 O15393 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ F12 P00748 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ PLAT P00750 1/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HPN P05981 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SLC47A2 Q86VL8 1/20 0.43
▸ SLC47A1 Q96FL8 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
SCHEMBL12592385 1.00 KMT2A (0.43) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL12592177 0.99 KMT2A (0.42) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL12355706 0.99 KMT2A (0.42) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL12592092 0.99 KMT2A (0.41) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL25767943 0.97 HTT (0.41) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL777854 0.96 KMT2A (0.42) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL777902 0.96 KMT2A (0.44) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL778259 0.96 KMT2A (0.42) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL12592101 0.96 KMT2A (0.40) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL778261 0.96 KMT2A (0.44) KMT2AMEN1SLC22A2TMPRSS2F2

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8388860-B2 Chiral compounds, liquid crystal compositions and polymer networks derived therefrom E I DU PONT DE NEMOURS AND COMPANY (US) 2013-03-05 — — US disclosed
US-8344175-B2 Liquid crystal compositions, polymer networks derived therefrom and process for making the same E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-01 — — US disclosed
US-8344175-B2 Liquid crystal compositions, polymer networks derived therefrom and process for making the same E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-01 — — 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-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-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 — — US disclosed
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 — — US disclosed
US-8067068-B2 Liquid crystal compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-29 — — US disclosed
US-8067068-B2 Liquid crystal compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-29 — — US disclosed
US-8044228-B2 Liquid crystal compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-25 — — 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-2007120458-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-25 — — WO 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
US-20070154718-A1 Multilayer laminates comprising twisted nematic liquid crystals DOW GLOBAL TECHNOLOGIES LLC 2007-07-05 — — US disclosed
US-20070154718-A1 Multilayer laminates comprising twisted nematic liquid crystals DOW GLOBAL TECHNOLOGIES LLC 2007-07-05 — — US disclosed
US-20070152188-A1 Composition for reducing the transmission of infrared radiation DOW GLOBAL TECHNOLOGIES LLC 2007-07-05 — — US disclosed
US-20070152188-A1 Composition for reducing the transmission of infrared radiation DOW GLOBAL TECHNOLOGIES LLC 2007-07-05 — — US disclosed
US-20070116945-A1 High strength multilayer laminates comprising twisted nematic liquid crystals DOW GLOBAL TECHNOLOGIES LLC 2007-05-24 — — US disclosed
US-20070116945-A1 High strength multilayer laminates comprising twisted nematic liquid crystals DOW GLOBAL TECHNOLOGIES LLC 2007-05-24 — — 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 (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 KMT2A 3323/4885MEN1 1061/4885SLC22A2 416/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 KMT2A 3598/4885MEN1 1865/4885SLC22A2 684/4885

“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.