SCHEMBL865819

SCHEMBL865819

Nc1ccc(C(CC(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(F)(F)F)cc3)cc2)C(O)(O)C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(F)(F)F)cc3)cc2)c(N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.36
CYP1A1 P04798 3/20 0.36
CYP1B1 Q16678 3/20 0.36
GSK3B P49841 2/20 0.32
BACE1 P56817 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL865821 1.00 MAOB (0.36) MAOBCYP1A1CYP1B1GSK3BBACE1
SCHEMBL867692 1.00 MAOB (0.36) MAOBCYP1A1CYP1B1GSK3BBACE1
SCHEMBL867690 1.00 MAOB (0.36) MAOBCYP1A1CYP1B1GSK3BBACE1
SCHEMBL866345 0.93 PPARA (0.34) MAOBCYP1A1CYP1B1PPARAABCG2
SCHEMBL866961 0.93 PPARA (0.34) MAOBCYP1A1CYP1B1PPARAABCG2
SCHEMBL866959 0.93 PPARA (0.34) MAOBCYP1A1CYP1B1PPARAABCG2
SCHEMBL866347 0.93 PPARA (0.34) MAOBCYP1A1CYP1B1PPARAABCG2
SCHEMBL865722 0.92 ABCG2 (0.33) MAOBCYP1A1CYP1B1LMNANPC1
SCHEMBL865720 0.92 ABCG2 (0.33) MAOBCYP1A1CYP1B1LMNANPC1
SCHEMBL866673 0.92 ABCG2 (0.33) MAOBCYP1A1CYP1B1LMNANPC1

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
CN-107438653-B Photoalignment composition 罗利克有限公司 2022-01-07 CN disclosed
CN-113652167-A Photoalignment composition 罗利克有限公司 2021-11-16 CN disclosed
US-10557085-B2 Photoalignment composition ROLIC AG (CH) 2020-02-11 US disclosed
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
EP-2308827-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed
EP-2305632-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-06 EP disclosed
EP-2305631-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-06 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-2008119449-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS ROLIC AG (CH) 2008-10-09 WO disclosed
EP-1975687-A1 Method of uniform and defect free liquid crystal aligning layers Rolic AG (CH) 2008-10-01 EP 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

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-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD MAOB 286/4885CYP1A1 3056/4885CYP1B1 2893/4885
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD MAOB 286/4885CYP1A1 3056/4885CYP1B1 2893/4885

“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.