SCHEMBL679942

SCHEMBL679942

O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2CO)c(CO)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.52
S100A4 P26447 2/20 0.52
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CES1 P23141 1/20 0.46

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
SCHEMBL29449526 1.00 PTPRC (0.52) PTPRCS100A4MAPTKDM4EMEN1
SCHEMBL28626894 0.91 PTGS2 (0.48) PTPRCS100A4MAPTKDM4EMEN1
SCHEMBL28088417 0.88 POLB (0.59) PTPRCS100A4MAPTMEN1KMT2A
SCHEMBL12808481 0.87 MAPT (0.44) PTPRCS100A4MAPTKDM4EMEN1
SCHEMBL260788 0.86 CYP1A2 (0.51) PTPRCS100A4MAPTCA1CA2
SCHEMBL29367937 0.86 CYP1A2 (0.51) PTPRCS100A4MAPTCA1CA2
SCHEMBL5511468 0.85 MAPT (0.45) PTPRCS100A4MAPTKDM4EMEN1
SCHEMBL1922592 0.82 GAA (0.56) MAPTKDM4EMEN1KMT2AMCL1
SCHEMBL216753 0.82 GPR35 (0.58) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL8832188 0.82 GPR35 (0.58) MAPTCA1CA2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110392725-B Photoalignment composition for stabilizing pretilt angle in liquid crystal layer 罗利克技术有限公司 2023-12-01 CN disclosed
CN-111386493-B Liquid crystal aligning agent, liquid crystal alignment film, method for producing liquid crystal alignment film, and liquid crystal display element 日产化学株式会社 2023-05-23 CN disclosed
US-11561440-B2 Photoalignment composition for the stabilization of the pre-tilt angle in liquid crystal layers Rolic Technologies AG (CH) 2023-01-24 US disclosed
US-11561440-B2 Photoalignment composition for the stabilization of the pre-tilt angle in liquid crystal layers Rolic Technologies AG (CH) 2023-01-24 US disclosed
CN-113563245-A Substituted pyrrolidine compounds and application thereof in medicines 广东东阳光药业有限公司 2021-10-29 CN disclosed
EP-3628054-B1 NEW PHOTOALIGNMENT COMPOSITION FOR THE STABILIZATION OF THE PRE-TILT ANGLE IN LIQUID CRYSTAL LAYERS ROLIC TECH AG (CH) 2021-10-06 EP disclosed
EP-3628054-B1 NEW PHOTOALIGNMENT COMPOSITION FOR THE STABILIZATION OF THE PRE-TILT ANGLE IN LIQUID CRYSTAL LAYERS ROLIC TECH AG (CH) 2021-10-06 EP disclosed
CN-108912011-B Photoalignment material 罗立克科技股份公司 2021-09-24 CN disclosed
CN-107011924-B Photoalignment materials with side substitution 罗利克有限公司 2021-06-01 CN disclosed
EP-2534191-B1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION ROLIC TECH AG (CH) 2020-04-15 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-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2010-02-25 US disclosed
WO-2008145225-A2 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2008-12-04 WO 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
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-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP DDC, ALAD, DYNC1LI1 PTPRC 3428/4885S100A4 2447/4885MAPT 1424/4885
US-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD PTPRC 4280/4885S100A4 1614/4885MAPT 295/4885
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 PTPRC 4701/4885S100A4 2123/4885MAPT 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.