SCHEMBL13645988

SCHEMBL13645988

C[n+]1ccc(C=Cc2ccc(N3CCN(c4ccc(C=Cc5cc[n+](C)cc5)cc4)CC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 3/20 0.53
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
ALPG P10696 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ACHE P22303 3/20 0.49
GLA P06280 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
APP P05067 1/20 0.43

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
SCHEMBL17447274 0.93 MAPT (0.60) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL16183105 0.93 PTGS2 (0.53) CHATALDH1A1RAB9AKDM4EHPGD
Iodide SCHEMBL17360023 0.92 ACHE (0.60) CHATALDH1A1RAB9AKDM4EHPGD
Iodide SCHEMBL17360021 0.92 ACHE (0.60) CHATALDH1A1RAB9AKDM4EHPGD
Iodide SCHEMBL17870554 0.91 SNCA (0.53) CHATALDH1A1RAB9AKDM4EHPGD
Iodide SCHEMBL17870555 0.91 SNCA (0.53) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL17360041 0.90 MAPT (0.58) CHATALDH1A1RAB9AKDM4EHPGD
SCHEMBL17360043 0.90 MAPT (0.58) CHATALDH1A1RAB9AKDM4EHPGD
Iodide SCHEMBL17360078 0.88 ACHE (0.60) CHATALDH1A1RAB9AKDM4EHPGD
Iodide SCHEMBL17360079 0.88 ACHE (0.60) CHATALDH1A1RAB9AKDM4EHPGD

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 CHAT 460/4885ALDH1A1 1895/4885RAB9A 4477/4885

“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.