SCHEMBL19864321

SCHEMBL19864321

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
NR5A2 O00482 2/20 0.69
NR5A1 Q13285 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
MAPT P10636 1/20 0.62
RECQL P46063 1/20 0.55
FABP3 P05413 1/20 0.55
SELP P16109 1/20 0.51
S1PR1 P21453 1/20 0.46
ADRA1D P25100 1/20 0.46
PTAFR P25105 1/20 0.46
HTR1D P28221 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44

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
SCHEMBL29876809 1.00 ALDH1A1 (0.70) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL30651167 1.00 ALDH1A1 (0.70) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL30652068 0.99 ALDH1A1 (0.72) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL25700291 0.99 ALDH1A1 (0.72) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL29935660 0.99 ALDH1A1 (0.72) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL31616183 0.99 ALDH1A1 (0.72) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL30649867 0.99 ALDH1A1 (0.72) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL30536890 0.98 ALDH1A1 (0.73) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL31615955 0.97 ALDH1A1 (0.75) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL30652751 0.97 ALDH1A1 (0.75) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT

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-11858888-B2 Compounds, compositions, and methods for the treatment of inflammatory, degenerative, and neurodegenerative diseases BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2024-01-02 US disclosed
US-11684599-B2 Very-long-chain polyunsaturated fatty acids, elovanoid hydroxylated derivatives, and methods of use BOARD OF SUPERVISORS OF LOUSIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2023-06-27 US disclosed
US-20180044278-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF INFLAMMATORY, DEGENERATIVE, AND NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTHERN CALIFORNIA 2018-02-15 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 (3 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-11684599-B2 Very-long-chain polyunsaturated fatty acids, elovanoid hydroxylated derivatives, and methods of use ELOVL3, ELOVL1, ELOVL5 ALDH1A1 343/4885NR5A2 1151/4885NR5A1 923/4885
US-20180044278-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF INFLAMMATORY, DEGENERATIVE, AND NEURODEGENERATIVE DISEASES PSEN2, PSEN1, ELOVL6 ALDH1A1 1119/4885NR5A2 2022/4885NR5A1 2454/4885
US-11858888-B2 Compounds, compositions, and methods for the treatment of inflammatory, degenerative, and neurodegenerative diseases PSEN2, PSEN1, ELOVL6 ALDH1A1 1119/4885NR5A2 2022/4885NR5A1 2454/4885

“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.