SCHEMBL876586

SCHEMBL876586

NCCOC(=O)CNCCO

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
CNR1 P21554 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LTA4H P09960 4/20 0.33
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL29254239 0.82 ACHE (0.38) CA1CA2ALDH1A1MAPTTHRB
SCHEMBL30426106 0.81 ALDH1A1 (0.41) CA1CA2ALDH1A1MAPTTHRB
Diethanolamine SCHEMBL28937380 0.81 NAAA (0.41) ALDH1A1MAPTTHRBCNR1GAA
SCHEMBL4924545 0.77 ALDH1A1 (0.50) ALDH1A1MAPTTHRBCNR1MAOA
SCHEMBL16005449 0.77 ALDH1A1 (0.50) ALDH1A1MAPTTHRBCNR1MAOA
SCHEMBL1045280 0.76 LTA4H (0.33) CA1CA2LTA4H
SCHEMBL1632531 0.75 GAA (0.52) ALDH1A1MAPTLTA4HGAAHPGD
SCHEMBL11232987 0.74 ALDH1A1 (0.41) CA1CA2ALDH1A1MAPTTHRB
SCHEMBL6243312 0.74 NAAA (0.56)
Water SCHEMBL5636608 0.73 GAA (0.50) ALDH1A1MAPTLTA4HGAAHPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758490-B2 Nanocapsules containing microemulsions LIPOTEC, S.A. (ES) 2020-09-01 US disclosed
EP-2618926-B1 NANOCAPSULES CONTAINING MICROEMULSIONS LIPOTEC SA (ES) 2019-05-08 EP disclosed
EP-2536815-B1 USE OF LIPOSOMES FOR THE TREATMENT OF TEXTILE MATERIALS LIPOTEC SA (ES) 2018-07-11 EP disclosed
EP-3272398-A1 LIPID NANOPARTICLE CAPSULES Lipotec S.A. (ES) 2018-01-24 EP disclosed
US-9717659-B2 Liposomes for the treatment of textile materials LIPOTEC, S.A. (ES) 2017-08-01 US disclosed
EP-2898774-A1 Composition for the treatment of textile materials Archroma IP GmbH (CH) 2015-07-29 EP disclosed
US-20130216596-A1 NANOCAPSULES CONTAINING MICROEMULSIONS LIPOTEC, S.A. (ES) 2013-08-22 US disclosed
EP-2618926-A2 NANOCAPSULES CONTAINING MICROEMULSIONS Lipotec, S.A. (ES) 2013-07-31 EP disclosed
US-20130183358-A1 LIPOSOMES FOR THE TREATMENT OF TEXTILE MATERIALS LIPOTEC, S.A. (ES) 2013-07-18 US disclosed
EP-2549977-A2 LIPID NANOPARTICLE CAPSULES Lipotec, S.A. (ES) 2013-01-30 EP disclosed
US-20130017239-A1 LIPID NANOPARTICLE CAPSULES LIPOTEC S.A. (ES) 2013-01-17 US disclosed
WO-2012038061-A2 NANOCAPSULES CONTAINING MICROEMULSIONS LIPOTEC, S.A. (ES) 2012-03-29 WO disclosed
WO-2011116963-A2 LIPID NANOPARTICLE CAPSULES LIPOTEC S.A. (ES) 2011-09-29 WO disclosed
US-20090018200-A1 COMPOSITION CONTAINING A PHENANTHRENOL L'OREAL (FR) 2009-01-15 US 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 (1 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-20090018200-A1 COMPOSITION CONTAINING A PHENANTHRENOL CUTA, AHR, TYR CA1 4884/4885CA2 4868/4885ALDH1A1 4116/4885

“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.