SCHEMBL2291835

SCHEMBL2291835

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.66
NR5A2 O00482 1/20 0.66
NR5A1 Q13285 1/20 0.66
RECQL P46063 1/20 0.62
MAPT P10636 3/20 0.61
PLA2G1B P04054 1/20 0.55
PLA2G2A P14555 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ADRA1D P25100 1/20 0.54
PTAFR P25105 1/20 0.54
HTR1D P28221 1/20 0.54
HTR2C P28335 1/20 0.54
ADRA1B P35368 1/20 0.54
DRD3 P35462 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
PLA2G10 O15496 1/20 0.53
MAPK1 P28482 4/20 0.52
MEN1 O00255 2/20 0.52
GMNN O75496 2/20 0.52
LMNA P02545 2/20 0.52

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
SCHEMBL825278 0.86 SMN1; SMN2 (0.67) SMN1; SMN2NR5A2NR5A1RECQLMAPT
SCHEMBL17065552 0.86 SMN1; SMN2 (0.67) SMN1; SMN2NR5A2NR5A1RECQLMAPT
SCHEMBL2294152 0.86 SMN1; SMN2 (0.59) SMN1; SMN2NR5A2NR5A1RECQLMAPT
SCHEMBL30986129 0.86 SMN1; SMN2 (0.67) SMN1; SMN2NR5A2NR5A1RECQLMAPT
SCHEMBL673766 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NR5A2NR5A1RECQLMAPT
SCHEMBL479274 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NR5A2NR5A1RECQLMAPT
SCHEMBL14967280 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NR5A2NR5A1RECQLMAPT
SCHEMBL479199 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NR5A2NR5A1RECQLMAPT
SCHEMBL479150 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NR5A2NR5A1RECQLMAPT
SCHEMBL671970 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NR5A2NR5A1RECQLMAPT

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 2 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 disclosed
US-7998945-B2 Methods for the treatment and amelioration of atopic dermatitis JADO TECHNOLOGIES GMBH (DE) 2011-08-16 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-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.