SCHEMBL2628074

SCHEMBL2628074

CCCOP(=O)(O)OCCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MVD P53602 1/20 0.42
DNM1 Q05193 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNA4 P43681 1/20 0.38
LPAR3 Q9UBY5 4/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
GGPS1 O95749 2/20 0.34
FDPS P14324 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL2471602 0.88 MVD (0.42) MVDDNM1CHRM2CHRM4CHRM5
SCHEMBL27703224 0.86 MVD (0.41) MVDDNM1CHRM2CHRM4CHRM5
SCHEMBL17817012 0.85 LPAR3 (0.58) DNM1LPAR3LPAR1LPAR2S1PR2
SCHEMBL24021282 0.85 LPAR3 (0.58) DNM1LPAR3LPAR1LPAR2S1PR2
SCHEMBL14355841 0.85 LPAR3 (0.58) DNM1LPAR3LPAR1LPAR2S1PR2
SCHEMBL497177 0.84 LPAR3 (0.46) LPAR3LPAR1LPAR2MEN1KMT2A
SCHEMBL13521069 0.84 MVD (0.47) MVDCHRNB2CHRNA4LPAR3LPAR1
SCHEMBL14750297 0.83 MVD (0.42) MVDDNM1CHRM2CHRM4CHRM5
SCHEMBL11754891 0.82 LPAR3 (0.44) LPAR3LPAR1LPAR2MEN1KMT2A
SCHEMBL7005822 0.82 LPAR3 (0.44) LPAR3LPAR1LPAR2MEN1KMT2A

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-20120136087-A1 PHOSPHORYLCHOLINE-BASED AMPHIPHILIC SILICONES FOR MEDICAL APPLICATIONS DSM IP ASSETS B.V. (NL) 2012-05-31 US disclosed
EP-2444448-A1 Phosphorylcholine-based amphiphilic silicones for medical applications DSM IP Assets B.V. (NL) 2012-04-25 EP disclosed
US-7413806-B2 Implant coatings BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-08-19 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-20120136087-A1 PHOSPHORYLCHOLINE-BASED AMPHIPHILIC SILICONES FOR MEDICAL APPLICATIONS PHOSPHO1, SGMS1, PLA2G2C MVD 4642/4885DNM1 3298/4885CHRM2 2363/4885

“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.