SCHEMBL816072

SCHEMBL816072

C=CC(=O)OCCCCCCOc1ccc2cc(C(=O)Oc3ccc(OC(=O)c4ccc5cc(OCCCCCCOC(=O)C(=C)C)ccc5c4)c(C(C)=O)c3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.35
THRA P10827 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9906508 0.95 MAPT (0.47) POLBHTTAPEX1TDP1MAPT
SCHEMBL9906519 0.95 MAPT (0.47) POLBHTTAPEX1TDP1MAPT
SCHEMBL9906507 0.94 MAPT (0.47) POLBMAPTKDM4EMAPK1KMT2A
SCHEMBL9906506 0.92 MAPT (0.47) POLBMAPTKDM4EMAPK1KMT2A
SCHEMBL816364 0.90 HTT (0.47) POLBHTTAPEX1TDP1MAPT
SCHEMBL9906500 0.90 HTT (0.47) POLBHTTAPEX1TDP1MAPT
SCHEMBL816054 0.90 HTT (0.47) POLBHTTAPEX1TDP1MAPT
SCHEMBL9906517 0.89 MAPT (0.48) POLBMAPTKDM4EMAPK1KMT2A
SCHEMBL15398119 0.89 HTT (0.46) POLBHTTAPEX1TDP1MAPT
SCHEMBL12733774 0.88 MAPT (0.44) POLBHTTAPEX1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2695930-B1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLARIZED LIGHT-EMITTING COATING MATERIAL, NOVEL NAPHTHOLACTAM DERIVATIVE, NOVEL COUMARIN DERIVATIVE, NOVEL NILE RED DERIVATIVE, AND NOVEL ANTHRACENE DERIVATIVE DAINIPPON INK & CHEMICALS (JP) 2019-09-11 EP disclosed
EP-2261201-B1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2018-05-30 EP disclosed
US-9475991-B2 Polymerizable liquid crystal composition, polarized light-emitting coating material, novel naphtholactam derivative novel coumarin derivative, novel nile red derivative, and novel anthracene derivative ADEKA CORPORATION (JP) 2016-10-25 US disclosed
US-9475991-B2 Polymerizable liquid crystal composition, polarized light-emitting coating material, novel naphtholactam derivative novel coumarin derivative, novel nile red derivative, and novel anthracene derivative ADEKA CORPORATION (JP) 2016-10-25 US disclosed
US-8663497-B2 Liquid crystal composition comprising polymerizable compound, and liquid crystal display element using said liquid crystal composition ADEKA CORPORATION (JP) 2014-03-04 US disclosed
US-8663497-B2 Liquid crystal composition comprising polymerizable compound, and liquid crystal display element using said liquid crystal composition ADEKA CORPORATION (JP) 2014-03-04 US disclosed
EP-2695930-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLARIZED LIGHT-EMITTING COATING MATERIAL, NOVEL NAPHTHOLACTAM DERIVATIVE, NOVEL COUMARIN DERIVATIVE, NOVEL NILE RED DERIVATIVE, AND NOVEL ANTHRACENE DERIVATIVE Adeka Corporation (JP) 2014-02-12 EP disclosed
US-20130334461-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLARIZED LIGHT-EMITTING COATING MATERIAL, NOVEL NAPHTHOLACTAM DERIVATIVE NOVEL COUMARIN DERIVATIVE, NOVEL NILE RED DERIVATIVE, AND NOVEL ANTHRACENE DERIVATIVE ADEKA CORPORATION (JP) 2013-12-19 US disclosed
US-20130334461-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLARIZED LIGHT-EMITTING COATING MATERIAL, NOVEL NAPHTHOLACTAM DERIVATIVE NOVEL COUMARIN DERIVATIVE, NOVEL NILE RED DERIVATIVE, AND NOVEL ANTHRACENE DERIVATIVE ADEKA CORPORATION (JP) 2013-12-19 US disclosed
EP-2502973-A1 LIQUID CRYSTAL COMPOSITION COMPRISING POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAID LIQUID CRYSTAL COMPOSITION Adeka Corporation (JP) 2012-09-26 EP disclosed
US-20120200794-A1 LIQUID CRYSTAL COMPOSITION COMPRISING POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAID LIQUID CRYSTAL COMPOSITION ADEKA CORPORATION (JP) 2012-08-09 US disclosed
US-20120200794-A1 LIQUID CRYSTAL COMPOSITION COMPRISING POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAID LIQUID CRYSTAL COMPOSITION ADEKA CORPORATION (JP) 2012-08-09 US disclosed
US-8057701-B2 Trifunctional (meth)acrylate compound and polymerizable composition containing same ADEKA CORPORATION (JP) 2011-11-15 US disclosed
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2011-02-17 US disclosed
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2011-02-17 US disclosed
EP-2261201-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND Adeka Corporation (JP) 2010-12-15 EP 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 (1 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-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME PYM1, MT-CO1, MAT1A POLB 792/4885HTT 2866/4885APEX1 1377/4885

“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.