SCHEMBL1897610

SCHEMBL1897610

C#CCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C

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 2/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ PRKCG P05129 1/20 0.49
▸ PRKCB P05771 1/20 0.49
▸ PRKCA P17252 1/20 0.49
▸ PRKCH P24723 1/20 0.49
▸ PRKCI P41743 1/20 0.49
▸ PRKCE Q02156 1/20 0.49
▸ PRKCQ Q04759 1/20 0.49
▸ PRKCZ Q05513 1/20 0.49
▸ PRKCD Q05655 1/20 0.49
▸ PRKD1 Q15139 1/20 0.49

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
SCHEMBL28738156 0.87 LMNA (0.56) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL4972574 0.87 LMNA (0.86) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL11994572 0.84 LMNA (0.46) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL8738432 0.84 LMNA (0.46) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL29465558 0.80 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL10415264 0.80 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL596694 0.80 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A
Miltefosine SCHEMBL20769827 0.80 LMNA (1.00) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL21437276 0.80 LMNA (0.56) LMNAAKT1ESR1ADORA3CDC25A
Octadecylphosphonocholine SCHEMBL744376 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940907-B2 Synthesis of phosphoric esters MERCK PATENT GMBH (DE) 2015-01-27 — — US disclosed
EP-2496586-B1 SYNTHESIS OF PHOSPHORIC ESTERS MERCK PATENT GMBH (DE) 2013-12-18 — — EP disclosed
EP-2496586-A1 SYNTHESIS OF PHOSPHORIC ESTERS Merck Patent GmbH (DE) 2012-09-12 — — EP disclosed
US-20120215006-A1 SYNTHESIS OF PHOSPHORIC ESTERS MERCK PATENTS GESSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-08-23 — — US disclosed
WO-2011054429-A1 SYNTHESIS OF PHOSPHORIC ESTERS MERCK PATENT GMBH (DE) 2011-05-12 — — 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 (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-20120215006-A1 SYNTHESIS OF PHOSPHORIC ESTERS PPIP5K2, PHOSPHO1, PPA1 LMNA 3173/4885AKT1 1024/4885ESR1 322/4885

“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.

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