SCHEMBL2297058

SCHEMBL2297058

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.82
NR5A2 O00482 1/20 0.82
NR5A1 Q13285 1/20 0.82
MAPT P10636 3/20 0.79
MAPK1 P28482 5/20 0.71
MEN1 O00255 3/20 0.71
GMNN O75496 3/20 0.71
LMNA P02545 3/20 0.71
BLM P54132 3/20 0.71
KMT2A Q03164 3/20 0.71
NPSR1 Q6W5P4 3/20 0.71
TP53 P04637 2/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2D6 P10635 2/20 0.71
CYP2C9 P11712 2/20 0.71
ALOX15 P16050 2/20 0.71
NFKB1 P19838 2/20 0.71
CYP2C19 P33261 2/20 0.71
HIF1A Q16665 2/20 0.71
MTOR P42345 1/20 0.71

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
SCHEMBL22479276 0.94 SMN1; SMN2 (0.82) SMN1; SMN2NR5A2NR5A1MAPTMAPK1
SCHEMBL11996375 0.94 SMN1; SMN2 (0.82) SMN1; SMN2NR5A2NR5A1MAPTMAPK1
SCHEMBL19092850 0.94 SMN1; SMN2 (0.82) SMN1; SMN2NR5A2NR5A1MAPTMAPK1
SCHEMBL2290884 0.91 SMN1; SMN2 (0.85) SMN1; SMN2NR5A2NR5A1MAPTMAPK1
SCHEMBL9951509 0.90 SMN1; SMN2 (0.84) SMN1; SMN2NR5A2NR5A1MAPTMAPK1
SCHEMBL15477814 0.90 SMN1; SMN2 (0.84) SMN1; SMN2NR5A2NR5A1MAPTMAPK1
SCHEMBL15477746 0.90 SMN1; SMN2 (0.84) SMN1; SMN2NR5A2NR5A1MAPTMAPK1
SCHEMBL2221345 0.90 SMN1; SMN2 (0.84) SMN1; SMN2NR5A2NR5A1MAPTMAPK1
SCHEMBL159631 0.90 SMN1; SMN2 (0.84) SMN1; SMN2NR5A2NR5A1MAPTMAPK1
SCHEMBL233046 0.90 SMN1; SMN2 (1.00) SMN1; SMN2NR5A2NR5A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263531-A1 METHODS FOR THE TREATMENT AND AMELIORATION OF ATOPIC DERMATITIS JADO TECHNOLOGIES GMBH 2011-10-27 US claimed
US-20090018105-A1 Means and Methods for the Treatment and Prevention of Allergic Diseases JADO TECHNOLOGIES GMBH 2009-01-15 US claimed
EP-1981488-A1 MEANS AND METHODS FOR THE TREATMENT AND PREVENTION OF ALLERGIC DISEASES Jado Technologies GmbH (DE) 2008-10-22 EP claimed
WO-2007071402-A1 MEANS AND METHODS FOR THE TREATMENT AND PREVENTION OF ALLERGIC DISEASES JADO TECHNOLOGIES GMBH (DE) 2007-06-28 WO claimed
US-8394785-B2 Methods for the treatment and amelioration of urticaria JADO TECHNOLOGIES GMBH (DE) 2013-03-12 US disclosed
US-20110263531-A1 METHODS FOR THE TREATMENT AND AMELIORATION OF ATOPIC DERMATITIS JADO TECHNOLOGIES GMBH 2011-10-27 US disclosed
US-7998945-B2 Methods for the treatment and amelioration of atopic dermatitis JADO TECHNOLOGIES GMBH (DE) 2011-08-16 US disclosed
US-20090018105-A1 Means and Methods for the Treatment and Prevention of Allergic Diseases JADO TECHNOLOGIES GMBH 2009-01-15 US disclosed
EP-1981488-A1 MEANS AND METHODS FOR THE TREATMENT AND PREVENTION OF ALLERGIC DISEASES Jado Technologies GmbH (DE) 2008-10-22 EP disclosed
WO-2007071402-A1 MEANS AND METHODS FOR THE TREATMENT AND PREVENTION OF ALLERGIC DISEASES JADO TECHNOLOGIES GMBH (DE) 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 (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-20090018105-A1 Means and Methods for the Treatment and Prevention of Allergic Diseases PHOSPHO1, CPA3, SMPD3 SMN1; SMN2 3518/4885NR5A2 4535/4885NR5A1 3261/4885
US-20110263531-A1 METHODS FOR THE TREATMENT AND AMELIORATION OF ATOPIC DERMATITIS PHOSPHO1, SMPD3, SMPD1 SMN1; SMN2 4002/4885NR5A2 4616/4885NR5A1 3545/4885

“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.