SCHEMBL816208

SCHEMBL816208

C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.54
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
LMNA P02545 3/20 0.47
CYP3A4 P08684 2/20 0.47
NPC1 O15118 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HTT P42858 2/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 3/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL12604043 1.00 THRB (0.54) THRBPRSS1ACRLMNACYP3A4
SCHEMBL103247 0.99 THRB (0.55) THRBPRSS1ACRLMNACYP3A4
SCHEMBL18470122 0.99 THRB (0.55) THRBPRSS1ACRLMNACYP3A4
SCHEMBL11917945 0.99 THRB (0.55) THRBPRSS1ACRLMNACYP3A4
SCHEMBL16885070 0.99 THRB (0.55) THRBPRSS1ACRLMNACYP3A4
SCHEMBL16885050 0.97 THRB (0.54) THRBPRSS1ACRLMNACYP3A4
SCHEMBL20706567 0.97 THRB (0.54) THRBPRSS1ACRLMNACYP3A4
SCHEMBL7452373 0.97 THRB (0.54) THRBPRSS1ACRLMNACYP3A4
SCHEMBL16885052 0.97 THRB (0.54) THRBPRSS1ACRLMNACYP3A4
SCHEMBL13109511 0.97 THRB (0.54) THRBPRSS1ACRLMNACYP3A4

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-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
EP-2325168-B1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORP (JP) 2014-03-19 EP 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
US-8512597-B2 Polymerizable optically active imide compound and polymerizable composition containing the compound ADEKA CORPORATION (JP) 2013-08-20 US disclosed
US-8512597-B2 Polymerizable optically active imide compound and polymerizable composition containing the compound ADEKA CORPORATION (JP) 2013-08-20 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
EP-2325168-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND Adeka Corporation (JP) 2011-05-25 EP disclosed
US-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORPORATION (JP) 2011-05-12 US disclosed
US-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORPORATION (JP) 2011-05-12 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 (2 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-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND H1-4, XPO4, F12 THRB 4794/4885PRSS1 4373/4885ACR 742/4885
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME PYM1, MT-CO1, MAT1A THRB 341/4885PRSS1 4585/4885ACR 18/4885

“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.