SCHEMBL1532227

SCHEMBL1532227

C=C(C)C(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCC)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
APEX1 P27695 1/20 0.61
HTT P42858 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NPC1 O15118 3/20 0.60
LMNA P02545 3/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TSHR P16473 3/20 0.53
MAPT P10636 5/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL223942 1.00 POLB (0.61) POLBAPEX1HTTTDP1NPC1
SCHEMBL12768436 1.00 POLB (0.61) POLBAPEX1HTTTDP1NPC1
SCHEMBL12768340 0.98 POLB (0.59) POLBAPEX1HTTTDP1NPC1
SCHEMBL12768342 0.98 POLB (0.59) POLBAPEX1HTTTDP1NPC1
SCHEMBL12768330 0.95 POLB (0.56) POLBAPEX1HTTTDP1NPC1
SCHEMBL20777010 0.94 POLB (0.68) POLBAPEX1HTTTDP1NPC1
SCHEMBL15478916 0.94 POLB (0.57) POLBAPEX1HTTTDP1NPC1
SCHEMBL1531832 0.93 POLB (0.61) POLBAPEX1HTTTDP1NPC1
SCHEMBL12768572 0.93 POLB (0.61) POLBAPEX1HTTTDP1NPC1
SCHEMBL1532072 0.93 POLB (0.61) POLBAPEX1HTTTDP1NPC1

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 19 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-2698412-B1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2016-10-12 EP disclosed
EP-2303987-B9 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2014-09-10 EP disclosed
EP-2303987-B1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2014-03-26 EP disclosed
EP-2698413-A2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2014-02-19 EP disclosed
EP-2698412-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-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-20100014010-A1 FORMULATIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2010-01-21 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 (3 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-20100014010-A1 FORMULATIONS COMPRISING MESOGEN CONTAINING COMPOUNDS MYOC, RARG, MTX2 POLB 496/4885APEX1 3448/4885HTT 794/4885
US-20090326186-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG POLB 297/4885APEX1 2951/4885HTT 1202/4885
US-20090323011-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG POLB 297/4885APEX1 2951/4885HTT 1202/4885

“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.