SCHEMBL1531796

SCHEMBL1531796

OCCCCCCOC1CCC(c2ccc(O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 16/20 0.51
ESR1 P03372 8/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2D6 P10635 1/20 0.45
ESRRB O95718 2/20 0.39
ESRRG P62508 2/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL1531798 1.00 ESR2 (0.51) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL1509710 0.87 HRH3 (0.45) CYP3A4CYP2C9KCNH2
SCHEMBL1509709 0.87 HRH3 (0.45) CYP3A4CYP2C9KCNH2
SCHEMBL4285603 0.85 ESR2 (0.34) ESR2ESR1CYP3A4CYP2C9
SCHEMBL4285599 0.85 ESR2 (0.34) ESR2ESR1CYP3A4CYP2C9
SCHEMBL12001925 0.80 ESR2 (0.53) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL10684492 0.78 GAA (0.35)
SCHEMBL13096848 0.78 GAA (0.35)
SCHEMBL10687104 0.78 GAA (0.35)
SCHEMBL3098673 0.76

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2698411-B9 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2017-12-06 EP disclosed
EP-2698411-B1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2017-02-01 EP disclosed
EP-2698413-B1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2016-12-28 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-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
CN-102076820-B Liquid crystal compositions comprising compounds containing mesogen TRANSITIONS OPTICAL INC 2013-11-27 CN 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
EP-2303988-A1 LIQUID CRYSTAL COMPOSITIONS COMPRISING 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-7910020-B2 Liquid crystal compositions comprising 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
US-20090323012-A1 LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPITCAL, INC. (US) 2009-12-31 US disclosed
WO-2009158483-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-30 WO disclosed
WO-2009158488-A1 LIQUID CRYSTAL COMPOSITIONS COMPRISING 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 ESR2 2029/4885ESR1 3752/4885CYP3A4 1538/4885
US-20090326186-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG ESR2 1645/4885ESR1 3562/4885CYP3A4 2065/4885
US-20090323011-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG ESR2 1645/4885ESR1 3562/4885CYP3A4 2065/4885

“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.