SCHEMBL866887

SCHEMBL866887

Nc1cc(N)cc(C(CC(=O)C=Cc2ccc(C(=O)Oc3ccc(OCCCC(F)(F)C(F)(F)F)cc3)cc2)C(O)(O)C(=O)C=Cc2ccc(C(=O)Oc3ccc(OCCCC(F)(F)C(F)(F)F)cc3)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
PPARA Q07869 4/20 0.33
MAPT P10636 4/20 0.32
KDM4E B2RXH2 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
PRSS1 P07477 1/20 0.32
ACR P10323 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
MAOB P27338 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
GSK3B P49841 1/20 0.31
BACE1 P56817 1/20 0.31
CYSLTR2 Q9NS75 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
SCHEMBL866704 1.00 CYP1A1 (0.34) CYP1A1CYP1B1PPARAMAPTKDM4E
SCHEMBL866702 1.00 CYP1A1 (0.34) CYP1A1CYP1B1PPARAMAPTKDM4E
SCHEMBL866885 1.00 CYP1A1 (0.34) CYP1A1CYP1B1PPARAMAPTKDM4E
SCHEMBL866259 0.94 ABCG2 (0.35) CYP1A1CYP1B1PPARAMAPTKDM4E
SCHEMBL866261 0.94 ABCG2 (0.35) CYP1A1CYP1B1PPARAMAPTKDM4E
SCHEMBL864866 0.94 ABCG2 (0.35) CYP1A1CYP1B1PPARAMAPTKDM4E
SCHEMBL864868 0.94 ABCG2 (0.35) CYP1A1CYP1B1PPARAMAPTKDM4E
SCHEMBL867467 0.91 ABCG2 (0.35) CYP1A1CYP1B1PPARAMAPTKDM4E
SCHEMBL867465 0.91 ABCG2 (0.35) CYP1A1CYP1B1PPARAMAPTKDM4E
SCHEMBL866649 0.91 ABCG2 (0.35) CYP1A1CYP1B1PPARAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-2144951-A1 THERMALLY STABLE ALIGNMENT MATERIALS Rolic AG (CH) 2010-01-20 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
EP-1975687-A1 Method of uniform and defect free liquid crystal aligning layers Rolic AG (CH) 2008-10-01 EP disclosed
EP-1860094-A1 Photocrosslinkable materials Rolic AG (CH) 2007-11-28 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 (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-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD CYP1A1 3056/4885CYP1B1 2893/4885PPARA 1787/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD CYP1A1 3056/4885CYP1B1 2893/4885PPARA 1787/4885
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD CYP1A1 3056/4885CYP1B1 2893/4885PPARA 1787/4885

“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.