SCHEMBL679941

SCHEMBL679941

O=C(/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)C(F)(F)F)cc2)cc1)OCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 8/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
MAOB P27338 2/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
MAOA P21397 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
SCHEMBL20489104 0.94 ALDH1A1 (0.42) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL30605779 0.94 ALDH1A1 (0.42) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL14151775 0.92 MAPT (0.39) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL14151773 0.92 MAPT (0.39) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL14152052 0.89 ALDH1A1 (0.39) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL14152053 0.89 ALDH1A1 (0.39) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL14854039 0.86 ALDH1A1 (0.42) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL14843814 0.86 ALDH1A1 (0.41) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL14843812 0.86 ALDH1A1 (0.41) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL28622371 0.85 MAOB (0.41) ALDH1A1TDP1MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362381-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2017-12-21 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-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-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-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-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 US disclosed
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 US disclosed
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 US disclosed
US-20080293888-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-11-27 US 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-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
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 (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 ALDH1A1 313/4885TDP1 914/4885MAPT 295/4885
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD ALDH1A1 313/4885TDP1 914/4885MAPT 295/4885
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 ALDH1A1 2166/4885TDP1 745/4885MAPT 159/4885

“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.