SCHEMBL20067445

SCHEMBL20067445

CCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
NR5A2 O00482 1/20 0.61
NR5A1 Q13285 1/20 0.61
MAPT P10636 1/20 0.59
PLA2G1B P04054 1/20 0.50
PLA2G2A P14555 1/20 0.50
RECQL P46063 1/20 0.49
ADRA1D P25100 1/20 0.49
PTAFR P25105 1/20 0.49
HTR1D P28221 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
LMNA P02545 2/20 0.49
AKT1 P31749 2/20 0.49
ESR1 P03372 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CDC25A P30304 1/20 0.49
AGTR1 P30556 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
SCHEMBL2927973 1.00 SMN1; SMN2 (0.63) SMN1; SMN2NR5A2NR5A1MAPTPLA2G1B
SCHEMBL23352264 0.91 SMN1; SMN2 (0.74) SMN1; SMN2NR5A2NR5A1MAPTPLA2G1B
SCHEMBL29540787 0.91 SMN1; SMN2 (0.74) SMN1; SMN2NR5A2NR5A1MAPTPLA2G1B
Lysophosphatidylcholine SCHEMBL19787878 0.90 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTPLA2G1B
SCHEMBL11131776 0.90 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTPLA2G1B
SCHEMBL31577414 0.90 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTPLA2G1B
SCHEMBL9560238 0.90 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTPLA2G1B
SCHEMBL25336885 0.90 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTPLA2G1B
SCHEMBL19065066 0.90 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTPLA2G1B
SCHEMBL9015289 0.90 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTPLA2G1B

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-20180104364-A1 TEXAPHYRIN-PHOSPHOLIPID CONJUGATES AND METHODS OF PREPARING SAME UNIVERSITY HEALTH NETWORK (CA) 2018-04-19 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-20180104364-A1 TEXAPHYRIN-PHOSPHOLIPID CONJUGATES AND METHODS OF PREPARING SAME PLTP, PHOSPHO1, TEX13A SMN1; SMN2 2014/4885NR5A2 4189/4885NR5A1 4117/4885

“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.