SCHEMBL767659

SCHEMBL767659

Cc1cc(OC(=O)c2ccc3cc(O)ccc3c2)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.59
ESR1 P03372 5/20 0.59
MEN1 O00255 7/20 0.54
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
NPC1 O15118 2/20 0.53
NR1H4 Q96RI1 2/20 0.47
DYRK1A Q13627 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
ESR2 Q92731 3/20 0.44
HGFAC Q04756 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.43
CLK1 P49759 1/20 0.43
GBA1 P04062 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL767555 0.88 NR1H4 (0.55) KMT2AESR1MEN1CASP3SENP8
SCHEMBL767373 0.88 NR1H4 (0.54) KMT2AESR1MEN1NPC1NR1H4
SCHEMBL777815 0.87 KMT2A (0.58) KMT2AESR1MEN1CASP3SENP8
SCHEMBL23386312 0.86 KMT2A (0.66) KMT2AESR1MEN1CASP3SENP8
SCHEMBL12859553 0.86 KMT2A (0.66) KMT2AESR1MEN1CASP3SENP8
SCHEMBL14086734 0.85 KMT2A (0.46) KMT2AESR1MEN1CASP3SENP8
SCHEMBL767642 0.84 KMT2A (0.50) KMT2AESR1MEN1CASP3SENP8
SCHEMBL777641 0.84 KMT2A (0.59) KMT2AESR1MEN1CASP3SENP8
SCHEMBL12281293 0.84 KMT2A (0.72) KMT2AESR1MEN1CASP3SENP8
SCHEMBL15760481 0.84 KMT2A (0.68) KMT2AESR1MEN1CASP3SENP8

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 23 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-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-2440631-A1 LIQUID CRYSTAL COMPOSITIONS E. I. du Pont de Nemours and Company (US) 2012-04-18 EP 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
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-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
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
CN-101415797-A Liquid crystal compositions, polymer networks derived therefrom and process for making the same DU PONT (US) 2009-04-22 CN 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 (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 3598/4885ESR1 3933/4885MEN1 1865/4885
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS TTR, CNOT9, CNOT7 KMT2A 3298/4885ESR1 3907/4885MEN1 333/4885
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS AQP3, AQP1, NCAPD2 KMT2A 4073/4885ESR1 3666/4885MEN1 845/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 KMT2A 3598/4885ESR1 3933/4885MEN1 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.