SCHEMBL19611360

SCHEMBL19611360

CCCN(O)c1ccc(N(CCO)CCO)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TDP1 Q9NUW8 3/20 0.54
TSHR P16473 2/20 0.54
HCAR3 P49019 4/20 0.49
ALDH3A1 P30838 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 1/20 0.40
NSD2 O96028 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
VCAM1 P19320 2/20 0.35

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
SCHEMBL25378565 0.91 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHCAR3ALDH3A1
SCHEMBL16176930 0.87 ALDH1A1 (0.51) ALDH1A1TDP1TSHRHCAR3ALDH3A1
SCHEMBL688642 0.79 HCAR3 (0.51) ALDH1A1TDP1TSHRHCAR3ALDH3A1
SCHEMBL14174537 0.77 ALDH1A1 (0.62) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL8799830 0.76 ALDH1A1 (0.88) ALDH1A1TDP1TSHRHCAR3MAPT
SCHEMBL6151379 0.76 ALDH1A1 (0.63) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL8318666 0.76 ALDH1A1 (0.63) ALDH1A1TDP1TSHRKDM4EMAPT
Hydrochloric Acid SCHEMBL8974864 0.75 ALDH1A1 (0.86) ALDH1A1TDP1TSHRHCAR3MAPT
SCHEMBL29390088 0.75 TDP1 (0.62) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL7470399 0.75 MAPT (0.61) ALDH1A1TDP1TSHRKDM4EMAPT

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-10524992-B2 Hair dyeing process using at least one direct and/or natural dye, a titanium salt, a cellulose-based polysaccharide and optionally a particular organic solvent L'OREAL (FR) 2020-01-07 US disclosed
US-20170333312-A1 HAIR DYEING PROCESS USING AT LEAST ONE DIRECT AND/OR NATURAL DYE, A TITANIUM SALT, A CELLULOSE-BASED POLYSACCHARIDE AND OPTIONALLY A PARTICULAR ORGANIC SOLVENT L'OREAL (FR) 2017-11-23 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-10524992-B2 Hair dyeing process using at least one direct and/or natural dye, a titanium salt, a cellulose-based polysaccharide and optionally a particular organic solvent KRT18, CD44, TYR ALDH1A1 575/4885TDP1 1967/4885TSHR 1443/4885
US-20170333312-A1 HAIR DYEING PROCESS USING AT LEAST ONE DIRECT AND/OR NATURAL DYE, A TITANIUM SALT, A CELLULOSE-BASED POLYSACCHARIDE AND OPTIONALLY A PARTICULAR ORGANIC SOLVENT KRT18, CD44, TYR ALDH1A1 575/4885TDP1 1967/4885TSHR 1443/4885

“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.