SCHEMBL767921

SCHEMBL767921

O=C(Oc1ccc(O)c(-c2ccccc2)c1)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA9 Q16790 1/20 0.49
EGFR P00533 1/20 0.47
PARP10 Q53GL7 1/20 0.46
NSD2 O96028 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
PELI1 Q96FA3 1/20 0.43
BACE1 P56817 1/20 0.43
SENP1 Q9P0U3 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
SCHEMBL777827 0.87 KMT2A (0.49) MEN1MAPTKMT2ATDP1CA9
SCHEMBL12922835 0.86 PELI1 (0.46) MEN1MAPTKMT2ATDP1CA9
SCHEMBL10455017 0.81 PARP10 (0.59) MEN1MAPTKMT2ATDP1PARP10
SCHEMBL5031111 0.81 PARP10 (0.59) MEN1MAPTKMT2ATDP1PARP10
SCHEMBL9335606 0.80 KMT2A (0.58) MEN1MAPTKMT2ATDP1CA9
SCHEMBL8849838 0.80 ESR1 (0.50) MEN1MAPTKMT2ATDP1CA9
SCHEMBL9743282 0.79 KMT2A (0.66) MEN1MAPTKMT2ATDP1CA9
SCHEMBL5162040 0.79 PARP10 (0.70) MEN1MAPTKMT2ATDP1PARP10
SCHEMBL9510350 0.78 BACE1 (0.66) MEN1MAPTKMT2ATDP1THRA
SCHEMBL455541 0.77 PARP10 (0.61) MEN1MAPTKMT2ATDP1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404794-B2 Liquid crystal compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2013-03-26 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-20120104316-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-03 US disclosed
EP-2440632-A2 LIQUID CRYSTAL COMPOSITIONS E. I. du Pont de Nemours and Company (US) 2012-04-18 EP disclosed
US-20120068116-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-8034255-B2 Liquid crystal compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-11 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
WO-2010144393-A2 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-16 WO disclosed
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS 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
US-20100308268-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
EP-2001974-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-17 EP 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
US-20070228326-A1 Liquid crystal compositions, polymer networks derived therefrom and process for making the same E. I. DU PONT DE NEMOURS AND COMPANY 2007-10-04 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 (5 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 MEN1 1865/4885MAPT 23/4885KMT2A 3598/4885
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS TTR, CNOT9, CNOT7 MEN1 333/4885MAPT 4/4885KMT2A 3298/4885
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS AQP3, AQP1, NCAPD2 MEN1 845/4885MAPT 52/4885KMT2A 4073/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 MEN1 1865/4885MAPT 23/4885KMT2A 3598/4885
US-20110114885-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME THEM6, NOTUM, WEE1 MEN1 2373/4885MAPT 134/4885KMT2A 3862/4885

“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.