SCHEMBL4551240

SCHEMBL4551240

CCCCCCCCCCC1COC(=O)N1CCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 3/20 0.38
MAN2B1 O00754 1/20 0.37
GRM2 Q14416 5/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
MGLL Q99685 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
FAAH O00519 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
SCHEMBL2783717 1.00 GBA1 (0.41) GBA1ALDH1A1CYP1A2MAN2B1GRM2
SCHEMBL10337392 0.89 MAN2B1 (0.38) GBA1ALDH1A1CYP1A2MAN2B1GRM2
SCHEMBL10337510 0.87 PLA2G1B (0.35) ALDH1A1CYP1A2MAN2B1GRM2CHRNB2
SCHEMBL3146990 0.84 GBA1 (0.41) GBA1MAN2B1TP53GAA
SCHEMBL9323835 0.83 ALDH1A1 (0.41) ALDH1A1CYP1A2MAN2B1GRM2
SCHEMBL8517964 0.83 CYP1A2 (0.39) GBA1CYP1A2TP53
SCHEMBL11331181 0.81 PIK3CD (0.40) GBA1
SCHEMBL7611955 0.79 PIK3CD (0.34) GBA1TP53GAA
SCHEMBL13261436 0.78 GBA1 (0.41) GBA1ALDH1A1CYP1A2MAN2B1PTGS1
SCHEMBL4416368 0.78 GBA1 (0.41) GBA1ALDH1A1CYP1A2MAN2B1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653117-B2 Composition comprising at least one oxazoline to inhibit migration of langerhans cells, and uses thereof LABORATOIRES EXPANSCIENCE (FR) 2014-02-18 US disclosed
US-8304453-B2 Composition comprising at least one alkanolamide to inhibit migration of langerhans cells and uses therof LABORATOIRES EXPANSCIENCE (FR) 2012-11-06 US disclosed
US-8236836-B2 Antiinflammatory agents, soothing agents, enzyme inhibitors, chelate compounds or alkanolamides using oxazoline derivatives LABORATOIRES EXPANSCIENCE (FR) 2012-08-07 US disclosed
US-20090137453-A1 COMPOSITION COMPRISING AT LEAST ONE OXAZOLINE TO INHIBIT MIGRATION OF LANGERHANS CELLS, AND USES THEREOF MSIKA PHILIPPE 2009-05-28 US disclosed
US-20060194881-A1 Composition comprising at least one alkanolamide to inhibit megration of langerhans cells and uses therof MSIKA PHILIPPE 2006-08-31 US disclosed
US-20050075380-A1 Composition comprising at least one oxazolin for inhibiting langerhans cell migratio, and uses thereof LABORATOIRES EXPANSCIENCE (FR) 2005-04-07 US disclosed
US-20050075397-A1 Composition comprising at least one alkanolamide for inhibiting langerhans cells migration, and uses thereof LABORATOIRES EXPANSCIENCE (FR) 2005-04-07 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 (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-20050075397-A1 Composition comprising at least one alkanolamide for inhibiting langerhans cells migration, and uses thereof ARG1, CPA3, MIF GBA1 836/4885ALDH1A1 1325/4885CYP1A2 3181/4885
US-20090137453-A1 COMPOSITION COMPRISING AT LEAST ONE OXAZOLINE TO INHIBIT MIGRATION OF LANGERHANS CELLS, AND USES THEREOF ARG1, MIF, ZAP70 GBA1 1453/4885ALDH1A1 1440/4885CYP1A2 2904/4885
US-20050075380-A1 Composition comprising at least one oxazolin for inhibiting langerhans cell migratio, and uses thereof MIF, CUTA, ARG1 GBA1 777/4885ALDH1A1 1919/4885CYP1A2 4017/4885
US-20060194881-A1 Composition comprising at least one alkanolamide to inhibit megration of langerhans cells and uses therof TPSG1, CPA3, CTSF GBA1 664/4885ALDH1A1 2203/4885CYP1A2 3358/4885

“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.