SCHEMBL778261

SCHEMBL778261

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
THRB P10828 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
HPN P05981 1/20 0.42
CHRM2 P08172 1/20 0.42
SLC6A2 P23975 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
SCHEMBL778010 1.00 KMT2A (0.44) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL777926 1.00 KMT2A (0.44) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL777902 1.00 KMT2A (0.44) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL778259 0.98 KMT2A (0.42) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL777854 0.98 KMT2A (0.42) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL12592385 0.96 KMT2A (0.43) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL777676 0.96 KMT2A (0.43) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL12355706 0.95 KMT2A (0.42) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL12592177 0.95 KMT2A (0.42) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL12592092 0.95 KMT2A (0.41) KMT2AMAPTMEN1HPGDALDH1A1

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-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-8044228-B2 Liquid crystal compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-25 US disclosed
US-8044228-B2 Liquid crystal compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-25 US disclosed
US-20100308269-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308265-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308269-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308265-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 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-20100308265-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 KMT2A 3598/4885MAPT 23/4885MEN1 1865/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 KMT2A 3598/4885MAPT 23/4885MEN1 1865/4885

“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.