SCHEMBL5513613

SCHEMBL5513613

CCN(CCO)c1ccc(N)cc1.Cc1cc(N(CCO)CCO)ccc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.64
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
PSMD14 O00487 2/20 0.50
RECQL P46063 2/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
GFER P55789 2/20 0.50
MAPT P10636 8/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MITF O75030 1/20 0.41
MEN1 O00255 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL29354848 0.93 S100B (0.74) S100BALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL793452 0.93 S100B (0.74) S100BALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL7722588 0.92 S100B (0.56) S100BALDH1A1L3MBTL1MAPK1TDP1
Hydrochloric Acid SCHEMBL9597048 0.91 S100B (0.72) S100BALDH1A1L3MBTL1MAPK1TDP1
Sulfuric Acid SCHEMBL7162707 0.91 S100B (0.60) S100BALDH1A1L3MBTL1MAPK1TDP1
Sulfuric Acid SCHEMBL7162700 0.91 S100B (0.60) S100BALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL30491146 0.88 S100B (0.65) S100BALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL33756 0.88 S100B (0.65) S100BALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL9405180 0.86 S100B (0.86) S100BALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL7039471 0.86 ALDH1A1 (0.67) S100BALDH1A1L3MBTL1MAPK1TDP1

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-7226487-B2 Oxidative dyeing keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2007-06-05 US disclosed
US-20050005370-A1 2-(Amino or substituted amino)-5-(substituted oxymethyl)-phenol compounds, dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2005-01-13 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-20050005370-A1 2-(Amino or substituted amino)-5-(substituted oxymethyl)-phenol compounds, dyeing compositions containing them, and use thereof KRT18, LOX, TYR S100B 32/4885ALDH1A1 422/4885L3MBTL1 4810/4885

“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.