SCHEMBL867832

SCHEMBL867832

O=C(C=Cc1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1)CC(c1ccc([N+](=O)[O-])cc1)C(O)(O)C(=O)C=Cc1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
MAPT P10636 5/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
PKM P14618 1/20 0.39
MAOA P21397 2/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
XDH P47989 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS2 P35354 1/20 0.36
HGFAC Q04756 1/20 0.36

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
SCHEMBL867830 1.00 MAOB (0.42) MAOBMAPTKMT2AMEN1NPSR1
SCHEMBL866978 0.89 MAOB (0.39) MAOBMAPTKMT2AMEN1NPSR1
SCHEMBL866980 0.89 MAOB (0.39) MAOBMAPTKMT2AMEN1NPSR1
SCHEMBL866259 0.85 ABCG2 (0.35) MAOBMAPTKDM4E
SCHEMBL866261 0.85 ABCG2 (0.35) MAOBMAPTKDM4E
SCHEMBL864868 0.85 ABCG2 (0.35) MAOBMAPTKDM4E
SCHEMBL864866 0.85 ABCG2 (0.35) MAOBMAPTKDM4E
SCHEMBL865877 0.83 MAOB (0.38) MAOBMAPTKMT2AMEN1NPSR1
SCHEMBL865875 0.83 MAOB (0.38) MAOBMAPTKMT2AMEN1NPSR1
SCHEMBL867465 0.83 ABCG2 (0.35) MAOBMAPTLMNANPC1KDM4E

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 15 patents. 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
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-2308827-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed
EP-2308826-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
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
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 (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 MAOB 286/4885MAPT 295/4885KMT2A 666/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD MAOB 286/4885MAPT 295/4885KMT2A 666/4885
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD MAOB 286/4885MAPT 295/4885KMT2A 666/4885
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 MAOB 1140/4885MAPT 159/4885KMT2A 921/4885

“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.