SCHEMBL866113

SCHEMBL866113

O=C(O)C=Cc1ccc(OC(=O)c2ccc(OCCCCC(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.47
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
PPARA Q07869 3/20 0.45
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
TBXAS1 P24557 2/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SRD5A2 P31213 1/20 0.43
MAOB P27338 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL2672530 1.00 ABCG2 (0.47) ABCG2CYP1A1CYP1B1PPARABCHE
SCHEMBL866112 1.00 ABCG2 (0.47) ABCG2CYP1A1CYP1B1PPARABCHE
SCHEMBL2672531 1.00 ABCG2 (0.47) ABCG2CYP1A1CYP1B1PPARABCHE
SCHEMBL865557 0.96 PPARA (0.48) ABCG2CYP1A1CYP1B1PPARATBXAS1
SCHEMBL2672553 0.96 PPARA (0.48) ABCG2CYP1A1CYP1B1PPARATBXAS1
SCHEMBL2672549 0.96 PPARA (0.48) ABCG2CYP1A1CYP1B1PPARATBXAS1
SCHEMBL21515068 0.96 PPARA (0.48) ABCG2CYP1A1CYP1B1PPARATBXAS1
SCHEMBL679336 0.96 PPARA (0.48) ABCG2CYP1A1CYP1B1PPARATBXAS1
SCHEMBL20402351 0.87 MAPT (0.59) ABCG2CYP1A1CYP1B1PPARABCHE
SCHEMBL2671839 0.87 PPARA (0.46) ABCG2CYP1A1CYP1B1PPARATBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079961-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2018-03-22 US disclosed
US-20170362381-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2017-12-21 US disclosed
EP-1966119-B1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2016-10-19 EP disclosed
WO-2016156079-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2016-10-06 WO disclosed
US-8557922-B2 Photocrosslinkable materials ROLIC AG (CH) 2013-10-15 US disclosed
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2013-01-03 US disclosed
US-8329823-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-12-11 US disclosed
US-8173749-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-05-08 US disclosed
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2012-03-29 US disclosed
EP-2308826-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 US disclosed
EP-2144951-A1 THERMALLY STABLE ALIGNMENT MATERIALS Rolic AG (CH) 2010-01-20 EP disclosed
EP-2142957-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS Rolic AG (CH) 2010-01-13 EP disclosed
US-20080293888-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-11-27 US disclosed
WO-2008135131-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2008-11-13 WO disclosed
WO-2008119449-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS ROLIC AG (CH) 2008-10-09 WO disclosed
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
EP-1860094-A1 Photocrosslinkable materials Rolic AG (CH) 2007-11-28 EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO disclosed
EP-1801097-A1 Photocrosslinkable materials Rolic AG (CH) 2007-06-27 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 (4 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-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD ABCG2 4577/4885CYP1A1 3056/4885CYP1B1 2893/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD ABCG2 4577/4885CYP1A1 3056/4885CYP1B1 2893/4885
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD ABCG2 4577/4885CYP1A1 3056/4885CYP1B1 2893/4885
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 ABCG2 3643/4885CYP1A1 4764/4885CYP1B1 4620/4885

“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.