SCHEMBL18471995

SCHEMBL18471995

[2H]O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
FABP3 P05413 1/20 0.43
LMNA P02545 2/20 0.33
AKT1 P31749 2/20 0.33
ESR1 P03372 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CDC25A P30304 1/20 0.33
AGTR1 P30556 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
P2RY10 O00398 4/20 0.32
GPR34 Q9UPC5 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
S1PR1 P21453 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 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
SCHEMBL5019714 0.89 SMN1; SMN2 (0.69) SMN1; SMN2FABP3LMNAAKT1ESR1
SCHEMBL8899300 0.89 SMN1; SMN2 (0.69) SMN1; SMN2FABP3LMNAAKT1ESR1
SCHEMBL157824 0.89 SMN1; SMN2 (0.69) SMN1; SMN2FABP3LMNAAKT1ESR1
SCHEMBL101267 0.89 SMN1; SMN2 (0.69) SMN1; SMN2FABP3LMNAAKT1ESR1
SCHEMBL27168721 0.89 SMN1; SMN2 (0.69) SMN1; SMN2FABP3LMNAAKT1ESR1
Glycerin SCHEMBL28844001 0.88 SMN1; SMN2 (0.68) SMN1; SMN2FABP3LMNAAKT1ESR1
Glycerin SCHEMBL28844000 0.88 SMN1; SMN2 (0.68) SMN1; SMN2FABP3LMNAAKT1ESR1
Choline SCHEMBL29922745 0.85 SMN1; SMN2 (0.64) SMN1; SMN2FABP3LMNAAKT1ESR1
SCHEMBL10013704 0.81 SMN1; SMN2 (0.50) SMN1; SMN2FABP3LMNAAKT1ESR1
SCHEMBL14950221 0.80 SMN1; SMN2 (0.57) SMN1; SMN2FABP3LMNAAKT1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037067-A1 NEW LIPOPHENOL COMPOUNDS AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-02-09 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-20170037067-A1 NEW LIPOPHENOL COMPOUNDS AND USES THEREOF LCLAT1, CBR1, LPO SMN1; SMN2 4862/4885FABP3 854/4885LMNA 2350/4885

“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.