SCHEMBL13645991

SCHEMBL13645991

CCN(Cc1ccc(CN(CC)c2ccc(C=Cc3cc[n+](C)cc3)cc2)cc1)c1ccc(C=Cc2cc[n+](C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 6/20 0.54
LMNA P02545 4/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALPG P10696 1/20 0.54
THRB P10828 1/20 0.54
HTT P42858 1/20 0.54
GFER P55789 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
TSHR P16473 1/20 0.46
KDM4E B2RXH2 3/20 0.45

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
SCHEMBL3748597 0.89 ALDH1A1 (0.62) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL4567104 0.89 ALDH1A1 (0.62) ALDH1A1MAPTLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL28621623 0.87 ALDH1A1 (0.61) ALDH1A1MAPTLMNAKMT2AMEN1
Iodide SCHEMBL592722 0.87 ALDH1A1 (0.66) ALDH1A1MAPTLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL28621621 0.87 ALDH1A1 (0.61) ALDH1A1MAPTLMNAKMT2AMEN1
Iodide SCHEMBL592723 0.87 ALDH1A1 (0.66) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL4402948 0.80 TSHR (0.72) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7036729 0.80 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7036731 0.80 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKMT2AMEN1
Iodide SCHEMBL7034942 0.79 ALDH1A1 (0.55) ALDH1A1MAPTLMNAKMT2AMEN1

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-7601180-B2 Use for the dyeing with lightening effect of keratin substances of a composition comprising a fluorescent cyanine dye L'OREAL S.A. (FR) 2009-10-13 US disclosed
US-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'OREAL S.A. (FR) 2009-02-26 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-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE KRT18, S100A4, S100P ALDH1A1 1895/4885MAPT 220/4885LMNA 846/4885

“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.