SCHEMBL866584

SCHEMBL866584

Nc1ccc(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)c(N)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.33
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33
MAOB P27338 1/20 0.32
MAPT P10636 4/20 0.31
KDM4E B2RXH2 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
LMNA P02545 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
PRSS1 P07477 1/20 0.31
ACR P10323 1/20 0.31
SAE1 Q9UBE0 1/20 0.30
UBA2 Q9UBT2 1/20 0.30

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
SCHEMBL865684 1.00 PPARA (0.33) PPARACYP1A1CYP1B1MAOBMAPT
SCHEMBL866582 1.00 PPARA (0.33) PPARACYP1A1CYP1B1MAOBMAPT
SCHEMBL865682 1.00 PPARA (0.33) PPARACYP1A1CYP1B1MAOBMAPT
SCHEMBL866345 0.94 PPARA (0.34) PPARACYP1A1CYP1B1MAOBABCG2
SCHEMBL866959 0.94 PPARA (0.34) PPARACYP1A1CYP1B1MAOBABCG2
SCHEMBL866961 0.94 PPARA (0.34) PPARACYP1A1CYP1B1MAOBABCG2
SCHEMBL866347 0.94 PPARA (0.34) PPARACYP1A1CYP1B1MAOBABCG2
SCHEMBL865720 0.92 ABCG2 (0.33) PPARACYP1A1CYP1B1MAOBABCG2
SCHEMBL865722 0.92 ABCG2 (0.33) PPARACYP1A1CYP1B1MAOBABCG2
SCHEMBL866671 0.92 ABCG2 (0.33) PPARACYP1A1CYP1B1MAOBABCG2

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 18 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-2308826-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP 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-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 PPARA 1787/4885CYP1A1 3056/4885CYP1B1 2893/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD PPARA 1787/4885CYP1A1 3056/4885CYP1B1 2893/4885
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD PPARA 1787/4885CYP1A1 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.