SCHEMBL8679882

SCHEMBL8679882

C[N+](C)(C)CCOP(=O)([O-])OCCCO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
AKT1 P31749 2/20 0.67
ESR1 P03372 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CDC25A P30304 1/20 0.67
AGTR1 P30556 1/20 0.67
ADRA1A P35348 1/20 0.67
KCNH2 Q12809 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.61
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PRKD3 O94806 1/20 0.48
PRKCG P05129 1/20 0.48
PRKCB P05771 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCH P24723 1/20 0.48
PRKCI P41743 1/20 0.48
PRKCE Q02156 1/20 0.48
PRKCQ Q04759 1/20 0.48
PRKCZ Q05513 1/20 0.48

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
SCHEMBL19767750 0.93 LMNA (0.73) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL1853865 0.89 SMN1; SMN2 (0.70) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL4972574 0.86 LMNA (0.86) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL25058831 0.83 LMNA (0.46) LMNAAKT1ESR1ADORA3CDC25A
Choline SCHEMBL1933758 0.82 LMNA (0.68) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL9234856 0.81 LMNA (0.96) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL10415264 0.80 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A
Octadecylphosphonocholine SCHEMBL744376 0.80 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A
Miltefosine SCHEMBL20769827 0.80 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A
Tetradecylphosphocholine SCHEMBL5481590 0.80 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220112225-A1 ANANDAMIDE COMPOUNDS TRAVECTA THERAPEUTICS PTE LTD (SG) 2022-04-14 US disclosed
US-11034994-B2 In vivo detection of phospholipase activation THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-06-15 US disclosed
WO-1998024480-A1 RADIOIODINATED PHOSPHOLIPID ETHER ANALOGS AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1998-06-11 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-20220112225-A1 ANANDAMIDE COMPOUNDS FAAH2, GPR18, AANAT LMNA 1453/4885AKT1 2819/4885ESR1 3037/4885
US-11034994-B2 In vivo detection of phospholipase activation PLA2G4A, PLA2G4C, PLA2G4B LMNA 632/4885AKT1 1620/4885ESR1 4407/4885

“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.