SCHEMBL8738432

SCHEMBL8738432

C#CCCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ AKT1 P31749 2/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CDC25A P30304 1/20 0.46
▸ AGTR1 P30556 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ FABP3 P05413 1/20 0.41
▸ BBOX1 O75936 2/20 0.38
▸ LPAR3 Q9UBY5 3/20 0.36
▸ LPAR1 Q92633 2/20 0.36
▸ LPAR2 Q9HBW0 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCH P24723 1/20 0.35
▸ PRKCI P41743 1/20 0.35

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
SCHEMBL11994572 1.00 LMNA (0.46) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL26334858 0.87 CYP2D6 (0.42) LPAR3LPAR1LPAR2SMN1; SMN2ALDH1A1
SCHEMBL17833014 0.87 LMNA (0.58) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL13619237 0.87 LMNA (0.58) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL26334849 0.87 CYP2D6 (0.42) LPAR3LPAR1LPAR2SMN1; SMN2ALDH1A1
SCHEMBL26334850 0.87 CYP2D6 (0.42) LPAR3LPAR1LPAR2SMN1; SMN2ALDH1A1
SCHEMBL26334857 0.85 CYP2D6 (0.39) LPAR3LPAR1LPAR2SMN1; SMN2
SCHEMBL1897610 0.84 LMNA (0.67) LMNAAKT1ESR1ADORA3CDC25A
SCHEMBL16417850 0.82 LPAR3 (0.47) LPAR3LPAR1LPAR2
SCHEMBL14447944 0.82 LMNA (0.59) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9616140-B2 Fluorescent phospholipid ether compounds, compositions, and methods of use CELLECTAR BIOSCIENCES, INC. (US) 2017-04-11 — — US disclosed
US-20150044142-A1 FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CELLECTAR, INC. (US) 2015-02-12 — — US disclosed
US-8871181-B2 Fluorescent phospholipid ether compounds, compositions, and methods of use CELLECTAR, INC. (US) 2014-10-28 — — US disclosed
US-20120128596-A1 FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CELLECTAR, INC. (US) 2012-05-24 — — US disclosed
US-20100286510-A1 USE OF FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS IN BIOPSIES CELL ACQUISITION CORP. 2010-11-11 — — US disclosed
US-20100284931-A1 FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CELL ACQUISITION CORP. 2010-11-11 — — US disclosed
US-20100284930-A1 FLUORESCENT IMAGING OF SKIN CANCERS USING PHOSPHOLIPID ETHER COMPOUNDS CELL ACQUISITION CORP. 2010-11-11 — — US disclosed
US-20100284929-A1 FLUORESCENT IMAGING OF TUMORS USING PHOSPHOLIPID ETHER COMPOUNDS CELL ACQUISITION CORP. 2010-11-11 — — US disclosed
US-7811548-B1 Fluorescent phospholipid ether compounds and compositions CELLECTAR, INC. (US) 2010-10-12 — — 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 (5 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-20150044142-A1 FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS, COMPOSITIONS, AND METHODS OF USE PHOSPHO1, SGMS2, SGMS1 LMNA 498/4885AKT1 3358/4885ESR1 1343/4885
US-20100286510-A1 USE OF FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS IN BIOPSIES PHOSPHO1, SGMS2, SGMS1 LMNA 530/4885AKT1 4070/4885ESR1 1146/4885
US-20100284931-A1 FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS, COMPOSITIONS, AND METHODS OF USE PHOSPHO1, SGMS1, SGMS2 LMNA 492/4885AKT1 2479/4885ESR1 888/4885
US-20120128596-A1 FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS, COMPOSITIONS, AND METHODS OF USE PHOSPHO1, SGMS1, SGMS2 LMNA 449/4885AKT1 3420/4885ESR1 1349/4885
US-20100284929-A1 FLUORESCENT IMAGING OF TUMORS USING PHOSPHOLIPID ETHER COMPOUNDS PHOSPHO1, PEBP1, SGMS1 LMNA 1413/4885AKT1 2443/4885ESR1 1489/4885

“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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