SCHEMBL21544070

SCHEMBL21544070

CN(C)CC(O)CO.NCC(O)CO

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
DNM1 Q05193 5/20 0.35
HIF1A Q16665 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.33
GABRR1 P24046 2/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
MAPT P10636 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
SCHEMBL19206137 0.87
SCHEMBL7718395 0.87
SCHEMBL6516983 0.87
SCHEMBL11137 0.87
Trimethylammonium SCHEMBL27533199 0.85 LMNA (0.44) LMNAALDH1A1HIF1AHTTGABRR1
SCHEMBL689269 0.85
SCHEMBL14888870 0.85
Water SCHEMBL20657269 0.85
Hydrochloric Acid SCHEMBL9053484 0.85
SCHEMBL16694320 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10888510-B2 Process for dyeing keratin fibres using at least one particular 2- or 4-azopyridinium dye and at least one fluorescent dye L'OREAL (FR) 2021-01-12 US disclosed
US-20190343750-A1 PROCESS FOR DYEING KERATIN FIBRES USING AT LEAST ONE PARTICULAR 2- OR 4-AZOPYRIDINIUM DYE AND AT LEAST ONE FLUORESCENT DYE L'OREAL (FR) 2019-11-14 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 (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-10888510-B2 Process for dyeing keratin fibres using at least one particular 2- or 4-azopyridinium dye and at least one fluorescent dye KRT18, IK, GLA LMNA 521/4885ALDH1A1 300/4885DNM1 4579/4885
US-20190343750-A1 PROCESS FOR DYEING KERATIN FIBRES USING AT LEAST ONE PARTICULAR 2- OR 4-AZOPYRIDINIUM DYE AND AT LEAST ONE FLUORESCENT DYE KRT18, IK, GLA LMNA 521/4885ALDH1A1 300/4885DNM1 4579/4885

“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.