SCHEMBL3836181

SCHEMBL3836181

CN(C)c1ccc(C(c2ccc(N(CCOCCO)CCOCCOCCO)cc2)N(c2ccccc2)c2ccc(N(CCOCCO)CCOCCOCCO)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.34
CNR2 P34972 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
GAA P10253 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL18216978 0.84 APP (0.49) APPL3MBTL1MAPK1ALDH1A1GAA
SCHEMBL18205003 0.84 APP (0.49) APPL3MBTL1MAPK1ALDH1A1GAA
SCHEMBL12970039 0.81 MEN1 (0.42) APPL3MBTL1MAPK1ALDH1A1ADRB2
SCHEMBL18216986 0.81 MEN1 (0.42) APPL3MBTL1MAPK1ALDH1A1ADRB2
SCHEMBL20904085 0.80 CHRM2 (0.38) APPL3MBTL1CNR2ALDH1A1NR1H2
SCHEMBL11807152 0.79 ALDH1A1 (0.42) APPMAPK1ALDH1A1ADRB2ADRB1
SCHEMBL26193168 0.79 APP (0.44) APPL3MBTL1MAPK1ALDH1A1GAA
SCHEMBL20904073 0.78 APP (0.46) APPL3MBTL1CNR2MAPK1ALDH1A1
SCHEMBL3832723 0.77 APP (0.43) APPL3MBTL1MAPK1ALDH1A1ADRB2
SCHEMBL13566499 0.77 APP (0.43) APPL3MBTL1MAPK1ALDH1A1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573144-B1 Alkoxylated leuco colorants for coloring consumer products MILLIKEN & CO (US) 2016-06-15 EP disclosed
EP-2573144-A2 Alkoxylated leuco colorants for coloring consumer products Milliken & Company (US) 2013-03-27 EP disclosed
US-7637963-B2 Unsubstituted and polymeric fluoran colorants for coloring consumer products MILLIKEN & COMPANY (US) 2009-12-29 US disclosed
US-7597723-B2 Unsubstituted and polymeric triphenymethane colorants for coloring consumer products MILLIKEN & COMPANY (US) 2009-10-06 US disclosed
US-7544216-B2 Unsubstituted and polymeric lactone colorants for coloring consumer products MILLIKEN & COMPANY (US) 2009-06-09 US disclosed
US-20080196176-A1 Unsubstituted and polymeric lactone colorants for coloring consumer products MILLIKEN & COMPANY 2008-08-21 US disclosed
US-20080196177-A1 Unsubstituted and polymeric fluoran colorants for coloring consumer products MILLIKEN & COMPANY 2008-08-21 US disclosed
US-20080196179-A1 Unsubstituted and polymeric triphenymethane colorants for coloring consumer products MILLIKEN & COMPANY 2008-08-21 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-20080196176-A1 Unsubstituted and polymeric lactone colorants for coloring consumer products LPO, MLLT1, LRBA APP 3247/4885L3MBTL1 410/4885CNR2 3474/4885
US-20080196177-A1 Unsubstituted and polymeric fluoran colorants for coloring consumer products LPO, LEO1, MLLT1 APP 3927/4885L3MBTL1 467/4885CNR2 4345/4885

“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.