SCHEMBL12355706

SCHEMBL12355706

C=CC(=O)OCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCOC(=O)C=C)cc3)cc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 2/20 0.42
SLC22A2 O15244 1/20 0.42
TMPRSS2 O15393 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
F12 P00748 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPN P05981 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
SLC47A2 Q86VL8 1/20 0.42
SLC47A1 Q96FL8 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
SCHEMBL12592177 1.00 KMT2A (0.42) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL777676 0.99 KMT2A (0.43) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL12592385 0.99 KMT2A (0.43) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL12592092 0.98 KMT2A (0.41) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL12411394 0.97 KMT2A (0.40) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL25767943 0.96 HTT (0.41) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL777854 0.95 KMT2A (0.42) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL778259 0.95 KMT2A (0.42) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL777902 0.95 KMT2A (0.44) KMT2AMEN1SLC22A2TMPRSS2F2
SCHEMBL12592101 0.95 KMT2A (0.40) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7988881-B2 Multilayer laminates comprising chiral nematic liquid crystals E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-08-02 US disclosed
US-20110114885-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 US disclosed
US-20110114885-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 US disclosed
EP-2001974-B1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME DU PONT (US) 2011-03-30 EP disclosed
US-7879256-B2 bis(meth)acrylates with esters linking mesogen to a flexible spacer and polymerizable (meth)acrylates E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-01 US disclosed
US-7879256-B2 bis(meth)acrylates with esters linking mesogen to a flexible spacer and polymerizable (meth)acrylates E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-01 US disclosed
US-20100079721-A1 MULTILAYER LAMINATES COMPRISING CHIRAL NEMATIC LIQUID CRYSTALS E. I. DU PONT DE NEMOURS AND COMPANY 2010-04-01 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

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-20110114885-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME THEM6, NOTUM, WEE1 KMT2A 3862/4885MEN1 2373/4885SLC22A2 1162/4885

“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.