SCHEMBL10043022

SCHEMBL10043022

CC(=O)CC(CN)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
HRH1 P35367 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
MMP12 P39900 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 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
SCHEMBL13684596 0.85
SCHEMBL28047126 0.84 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMEN1CYP1A2HRH1
SCHEMBL13229795 0.84 LMNA (0.58) SMN1; SMN2LMNAMEN1CYP1A2HRH1
SCHEMBL27638914 0.80 TDP1 (0.48) SMN1; SMN2LMNAMEN1CYP1A2HRH1
SCHEMBL988073 0.79
SCHEMBL19361541 0.79
SCHEMBL12122789 0.77 TSHR (0.34) SMN1; SMN2LMNAMEN1CYP1A2HRH1
SCHEMBL14288711 0.76 TSHR (0.37) SMN1; SMN2LMNAMEN1CYP1A2HRH1
SCHEMBL1020470 0.76 TDP1 (0.53) SMN1; SMN2LMNAMEN1CYP1A2HRH1
Hydrochloric Acid SCHEMBL4305679 0.74 TDP1 (0.52) SMN1; SMN2LMNAMEN1CYP1A2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334235-B2 Plasmalogen compounds, pharmaceutical compositions containing the same and methods for treating diseases of the aging PHENOMENOME DISCOVERIES INC. (CA) 2016-05-10 US disclosed
US-9334235-B2 Plasmalogen compounds, pharmaceutical compositions containing the same and methods for treating diseases of the aging PHENOMENOME DISCOVERIES INC. (CA) 2016-05-10 US disclosed
US-20130116312-A2 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING PHENOMENOME DISCOVERIES INC. (CA) 2013-05-09 US disclosed
US-20130116312-A2 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING PHENOMENOME DISCOVERIES INC. (CA) 2013-05-09 US disclosed
US-20120035250-A1 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING PHENOMENOME DISCOVERIES INC. (CA) 2012-02-09 US disclosed
US-20120035250-A1 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING PHENOMENOME DISCOVERIES INC. (CA) 2012-02-09 US disclosed
WO-2010071988-A1 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING PHENOMENOME DISCOVERIES INC. (CA) 2010-07-01 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 (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-20120035250-A1 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING PHOSPHO1, SGMS2, MBOAT1 SMN1; SMN2 342/4885LMNA 1183/4885MEN1 341/4885
US-20130116312-A2 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING PHOSPHO1, SGMS2, MBOAT1 SMN1; SMN2 342/4885LMNA 1183/4885MEN1 341/4885

“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.