SCHEMBL679252

SCHEMBL679252

O=C(OCCCCCCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.53
NPC1 O15118 1/20 0.50
ALOX5 P09917 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SERPINE1 P05121 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL10960450 0.98 NPC1 (0.51) ESR1NPC1ALOX5SMN1; SMN2CYP3A4
SCHEMBL10964212 0.94 NPC1 (0.52) ESR1NPC1ALOX5SMN1; SMN2CYP3A4
SCHEMBL4420391 0.94 ESR1 (0.58) ESR1NPC1ALOX5SMN1; SMN2CYP3A4
SCHEMBL12786320 0.90 NPC1 (0.65) ESR1NPC1ALOX5SMN1; SMN2CYP3A4
SCHEMBL8846327 0.89 NPC1 (0.67) ESR1NPC1ALOX5SMN1; SMN2CYP3A4
SCHEMBL6026813 0.88 ESR1 (0.53) ESR1NPC1ALOX5SMN1; SMN2CYP3A4
SCHEMBL9733791 0.87 NPC1 (0.55) ESR1NPC1ALOX5SMN1; SMN2CYP3A4
SCHEMBL6792765 0.87 ESR1 (0.71) ESR1NPC1AKR1C4AKR1C3AKR1C2
SCHEMBL9679699 0.87 ESR1 (0.71) ESR1NPC1AKR1C4AKR1C3AKR1C2
SCHEMBL6025969 0.87 ESR1 (0.56) ESR1NPC1ALOX5SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108912011-B Photoalignment material 罗立克科技股份公司 2021-09-24 CN disclosed
CN-104649916-B Photocrosslinkable materials 罗利克有限公司 2020-12-01 CN disclosed
US-10208031-B2 Photocrosslinkable materials comprising alicyclic group ROLIC AG (CH) 2019-02-19 US disclosed
US-10208031-B2 Photocrosslinkable materials comprising alicyclic group ROLIC AG (CH) 2019-02-19 US disclosed
CN-108912011-A Light arrangement material 罗立克科技股份公司 2018-11-30 CN disclosed
CN-106873249-B Light alignment materials with side draw generation 罗利克有限公司 2018-09-14 CN disclosed
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
US-20170362381-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2017-12-21 US disclosed
US-9493394-B2 Photoaligning materials ROLIC AG (CH) 2016-11-15 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-2008135131-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2008-11-13 WO disclosed
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
EP-1860094-A1 Photocrosslinkable materials Rolic AG (CH) 2007-11-28 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
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO disclosed
EP-1801097-A1 Photocrosslinkable materials Rolic AG (CH) 2007-06-27 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 (2 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-10208031-B2 Photocrosslinkable materials comprising alicyclic group DDC, ALAD, DYNC1LI1 ESR1 3492/4885NPC1 4710/4885ALOX5 252/4885
US-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD ESR1 3182/4885NPC1 4864/4885ALOX5 992/4885

“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.