SCHEMBL777827

SCHEMBL777827

O=C(Oc1ccc(OC(=O)c2ccc(O)cc2)c(-c2ccccc2)c1)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA9 Q16790 1/20 0.48
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
PARP10 Q53GL7 1/20 0.45
NSD2 O96028 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SERPINE1 P05121 1/20 0.43
SELL P14151 1/20 0.43
SELP P16109 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
EGFR P00533 1/20 0.43
HSD17B10 Q99714 1/20 0.42
SENP1 Q9P0U3 1/20 0.42
CASP3 P42574 1/20 0.41

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
SCHEMBL8849838 0.93 ESR1 (0.50) KMT2AMEN1MAPTTDP1CA9
SCHEMBL10783364 0.90 KMT2A (0.50) KMT2AMEN1MAPTTDP1CA9
SCHEMBL767483 0.90 ESR1 (0.55) KMT2AMEN1MAPTESR1ESR2
SCHEMBL777890 0.89 KMT2A (0.52) KMT2AMEN1MAPTTDP1CA9
SCHEMBL9857403 0.88 ESR2 (0.56) KMT2AMEN1MAPTESR1ESR2
SCHEMBL14297917 0.87 KMT2A (0.55) KMT2AMEN1MAPTTDP1CA9
SCHEMBL14981353 0.87 KMT2A (0.53) KMT2AMEN1MAPTTDP1CA9
SCHEMBL767921 0.87 MEN1 (0.50) KMT2AMEN1MAPTTDP1CA9
SCHEMBL2997630 0.86 NSD2 (0.61) KMT2AMEN1MAPTTDP1CA9
SCHEMBL3005068 0.86 NSD2 (0.65) KMT2AMEN1MAPTTDP1CA9

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 28 patents — showing the first 20. 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-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-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
US-20120104316-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-03 US disclosed
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 US 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-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 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-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-20100308268-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
US-20100308265-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-20100308269-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS 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 (4 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 3598/4885MEN1 1865/4885MAPT 23/4885
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS TTR, CNOT9, CNOT7 KMT2A 3298/4885MEN1 333/4885MAPT 4/4885
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS AQP3, AQP1, NCAPD2 KMT2A 4073/4885MEN1 845/4885MAPT 52/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 KMT2A 3598/4885MEN1 1865/4885MAPT 23/4885

“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.