SCHEMBL816829

SCHEMBL816829

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc3cc(C(=O)Oc4ccc(OC(=O)c5ccc6cc(OCCCCCCOC(=O)C(=C)C)ccc6c5)cc4CCC)ccc3c2)cc1OCCCCCCOC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 3/20 0.35
THRA P10827 2/20 0.35
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 2/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 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
SCHEMBL815711 0.97 POLB (0.45) POLBAPEX1HTTTDP1THRB
SCHEMBL12674532 0.96 POLB (0.39) POLBAPEX1HTTTDP1THRB
SCHEMBL816326 0.94 THRB (0.39) THRBTHRAPPARGPPARDPPARA
SCHEMBL816023 0.94 THRB (0.39) THRBTHRAPPARGPPARDPPARA
SCHEMBL12975820 0.93 POLB (0.48) POLBAPEX1HTTTDP1THRB
SCHEMBL816219 0.93 THRB (0.41) THRBTHRAPPARGPPARAMAPT
SCHEMBL12604220 0.92 THRB (0.39) THRBTHRAPPARGPPARDPPARA
SCHEMBL11961766 0.91 THRB (0.37) THRBTHRAPPARGPPARDPPARA
SCHEMBL11961794 0.91 HTT (0.42) POLBAPEX1HTTTDP1THRB
SCHEMBL19757256 0.91 THRB (0.42) THRBTHRAPPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325168-B1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORP (JP) 2014-03-19 EP 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
US-8057701-B2 Trifunctional (meth)acrylate compound and polymerizable composition containing same ADEKA CORPORATION (JP) 2011-11-15 US disclosed
US-8057701-B2 Trifunctional (meth)acrylate compound and polymerizable composition containing same ADEKA CORPORATION (JP) 2011-11-15 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-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 POLB 2732/4885APEX1 3189/4885HTT 3538/4885
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME PYM1, MT-CO1, MAT1A POLB 792/4885APEX1 1377/4885HTT 2866/4885

“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.