SCHEMBL13619237

SCHEMBL13619237

C[N+](C)(C)CCOP(=O)(O)OCCCCCCOP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
AKT1 P31749 2/20 0.58
ADRA1A P35348 2/20 0.58
ESR1 P03372 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CDC25A P30304 1/20 0.58
AGTR1 P30556 1/20 0.58
KCNH2 Q12809 1/20 0.58
FABP3 P05413 1/20 0.48
LPAR3 Q9UBY5 3/20 0.45
LPAR1 Q92633 2/20 0.45
LPAR2 Q9HBW0 2/20 0.45
BBOX1 O75936 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCI P41743 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
SCHEMBL17833014 1.00 LMNA (0.58) LMNAAKT1ADRA1AESR1ADORA3
SCHEMBL60426 0.93 LMNA (0.70) LMNAAKT1ADRA1AESR1ADORA3
SCHEMBL7188423 0.93 LMNA (0.70) LMNAAKT1ADRA1AESR1ADORA3
SCHEMBL14447816 0.93 LMNA (0.70) LMNAAKT1ADRA1AESR1ADORA3
SCHEMBL14447974 0.93 LMNA (0.70) LMNAAKT1ADRA1AESR1ADORA3
SCHEMBL62054 0.93 LMNA (0.70) LMNAAKT1ADRA1AESR1ADORA3
SCHEMBL2695075 0.93 LMNA (0.70) LMNAAKT1ADRA1AESR1ADORA3
Tetradecylphosphocholine SCHEMBL1152910 0.93 LMNA (0.70) LMNAAKT1ADRA1AESR1ADORA3
SCHEMBL14447829 0.93 LMNA (0.70) LMNAAKT1ADRA1AESR1ADORA3
SCHEMBL19776359 0.93 LMNA (0.51) LMNAAKT1ADRA1AESR1ADORA3

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-20230118142-A1 AGENTS FOR USE IN THE TREATMENT OF TISSUE DAMAGE UCL BUSINESS LTD (GB) 2023-04-20 US disclosed
US-7615543-B2 Complexes with C-reactive protein (CRP) molecules; rheumatoid arthritis, juvenile chronic (rheumatoid) arthritis, ankylosing spondylitis, psoriatic arthritis, systemic vasculitis, polymyalgia rheumatica, Reiter's disease, Crohn's disease and familial Mediterranean fever PENTRAXIN THERAPEUTICS LIMITED (GB) 2009-11-10 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-20230118142-A1 AGENTS FOR USE IN THE TREATMENT OF TISSUE DAMAGE LPO, AOX1, MPO LMNA 513/4885AKT1 1776/4885ADRA1A 1950/4885

“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.