SCHEMBL21094307

SCHEMBL21094307

CCCCCCCC/C=C\CCCCCCCCCCCCOP(=O)([O-])OCCC[N+](C)(C)C

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.72
AKT1 P31749 2/20 0.72
ESR1 P03372 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
CDC25A P30304 1/20 0.72
AGTR1 P30556 1/20 0.72
ADRA1A P35348 1/20 0.72
KCNH2 Q12809 1/20 0.72
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
S1PR1 P21453 1/20 0.57
ALDH1A1 P00352 2/20 0.54
PRKD3 O94806 1/20 0.53
PRKCG P05129 1/20 0.53
PRKCB P05771 1/20 0.53
PRKCA P17252 1/20 0.53
PRKCH P24723 1/20 0.53
PRKCI P41743 1/20 0.53
PRKCE Q02156 1/20 0.53
PRKCQ Q04759 1/20 0.53

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
Erufosine SCHEMBL18343547 0.94 LMNA (0.82) LMNAAKT1ESR1ADORA3CDC25A
Erufosine SCHEMBL4064798 0.94 LMNA (0.82) LMNAAKT1ESR1ADORA3CDC25A
Elaidylphosphocholine SCHEMBL18952927 0.94 LMNA (0.82) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL23016878 0.94 LMNA (0.82) LMNAAKT1ESR1ADORA3CDC25A
Oleylphosphocholine SCHEMBL3332097 0.94 LMNA (0.82) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL23016704 0.94 LMNA (0.82) LMNAAKT1ESR1ADORA3CDC25A
Elaidylphosphocholine SCHEMBL10415339 0.94 LMNA (0.82) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL29363136 0.91 AKT1 (0.87) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL7864946 0.88 LPAR3 (0.62) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL11362441 0.88 LMNA (0.87) 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-11208478-B2 Methods of detecting and treating a tumor expressing pT346 PDK1 THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2021-12-28 US disclosed
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
US-20190177411-A1 Methods of Detecting and Treating a Tumor Expressing PT346 PDK1 THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2019-06-13 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 (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-11208478-B2 Methods of detecting and treating a tumor expressing pT346 PDK1 PDK1, PDK2, PCK2 LMNA 4362/4885AKT1 439/4885ESR1 4002/4885
US-20190177411-A1 Methods of Detecting and Treating a Tumor Expressing PT346 PDK1 PDK1, PDK2, PCK2 LMNA 4362/4885AKT1 439/4885ESR1 4002/4885

“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.