SCHEMBL1532002

SCHEMBL1532002

C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)OCCCCCCOC(=O)CCC(=O)OCCCOC(=O)c4ccc(OCCCOC(=O)CCC(=O)OCCCCCCOC(=O)c5ccc(-c6ccc(OC(=O)c7ccc(OCCCCCCOC(=O)C(=C)C)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
POLB P06746 2/20 0.60
APEX1 P27695 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
NPC1 O15118 3/20 0.47
LMNA P02545 3/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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
SCHEMBL12768344 0.97 HTT (0.57) HTTPOLBAPEX1TDP1NPC1
SCHEMBL12768348 0.96 HTT (0.56) HTTPOLBAPEX1TDP1NPC1
SCHEMBL13574932 0.96 HTT (0.60) HTTPOLBAPEX1TDP1NPC1
SCHEMBL15224973 0.96 HTT (0.60) HTTPOLBAPEX1TDP1NPC1
SCHEMBL1532040 0.95 HTT (0.55) HTTPOLBAPEX1TDP1NPC1
SCHEMBL13574931 0.95 HTT (0.56) HTTPOLBAPEX1TDP1NPC1
SCHEMBL12768332 0.94 POLB (0.58) HTTPOLBAPEX1TDP1NPC1
SCHEMBL15478755 0.93 HTT (0.62) HTTPOLBAPEX1TDP1NPC1
SCHEMBL14346662 0.93 POLB (0.64) HTTPOLBAPEX1TDP1NPC1
SCHEMBL8667962 0.92 POLB (0.70) HTTPOLBAPEX1TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2698413-B1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2016-12-28 EP claimed
EP-2698413-A2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2014-02-19 EP claimed
US-7910019-B2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2011-03-22 US claimed
US-20090326186-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-31 US claimed
US-20090323011-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-31 US claimed
US-20090323012-A1 LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPITCAL, INC. (US) 2009-12-31 US claimed
EP-2698413-B1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2016-12-28 EP disclosed
EP-2698413-A2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2014-02-19 EP disclosed
EP-2698411-A2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2014-02-19 EP disclosed
EP-2698411-A2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2014-02-19 EP disclosed
EP-2303988-B9 LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2013-12-25 EP disclosed
EP-2303988-B1 LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2013-09-04 EP disclosed
EP-2303987-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2011-04-06 EP disclosed
US-7910019-B2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2011-03-22 US disclosed
US-20090326186-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-31 US disclosed
US-20090323011-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-31 US disclosed
WO-2009158483-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-30 WO 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-20090326186-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG HTT 1202/4885POLB 297/4885APEX1 2951/4885
US-20090323011-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG HTT 1202/4885POLB 297/4885APEX1 2951/4885

“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.