SCHEMBL777981

SCHEMBL777981

CC(=O)c1cc(OC(=O)c2ccc3cc(O)ccc3c2)ccc1OC(=O)c1ccc2cc(O)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 11/20 0.55
ESR1 P03372 6/20 0.52
MEN1 O00255 7/20 0.51
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
NPC1 O15118 2/20 0.47
ESR2 Q92731 4/20 0.45
PKM P14618 1/20 0.44
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HGFAC Q04756 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL14981350 0.95 MAPT (0.56) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL777980 0.89 MAPT (0.72) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL14981364 0.88 KMT2A (0.53) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL14981340 0.87 MAPT (0.48) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL14981370 0.86 KMT2A (0.49) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL14884426 0.84 KMT2A (0.62) MAPTKDM4EKMT2AESR1MEN1
SCHEMBL14981328 0.84 KMT2A (0.55) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL777815 0.83 KMT2A (0.58) MAPTKMT2AESR1MEN1CASP3
SCHEMBL14981372 0.83 KMT2A (0.46) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL12268648 0.83 KMT2A (0.60) MAPTPOLBKMT2AESR1MEN1

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 30 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
WO-2010144393-A2 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-16 WO disclosed
WO-2010144411-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-16 WO 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
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

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 MAPT 23/4885KDM4E 2609/4885POLB 2082/4885
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS TTR, CNOT9, CNOT7 MAPT 4/4885KDM4E 3395/4885POLB 1647/4885
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS AQP3, AQP1, NCAPD2 MAPT 52/4885KDM4E 4027/4885POLB 2665/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 MAPT 23/4885KDM4E 2609/4885POLB 2082/4885

“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.