SCHEMBL4103240

SCHEMBL4103240

C(#C[n+]1cccc2ccccc21)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
ACHE P22303 13/20 0.37
BCHE P06276 12/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL1173441 0.73 ACHE (0.34) ACHEBCHE
SCHEMBL4109076 0.72 KCNH2 (0.53) APPKCNH2
SCHEMBL1185247 0.71 ACHE (0.42) ACHEBCHE
Perchlorate SCHEMBL4340826 0.67 KCNH2 (0.47) APPKCNH2
Diphenylacetylene SCHEMBL14354086 0.67 APP (0.71) APPKCNH2
SCHEMBL4108606 0.66 APP (0.33) APPKCNH2
Diphenylacetylene SCHEMBL8751747 0.66 APP (0.80) APPKCNH2
SCHEMBL4107007 0.66 APP (0.52) APPKCNH2
SCHEMBL1665979 0.63 ACHE (0.46) ACHEBCHE
Diphenylacetylene SCHEMBL29188592 0.62 APP (1.00) APPKCNH2

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-7611546-B2 Composition comprising at least one substituted acetylenic carbocyanin derivative, process for treating keratin fibres using it, and device therefor L'OREAL S.A. (FR) 2009-11-03 US disclosed
US-20090064423-A1 Composition comprising at least one substituted acetylenic carbocyanin derivative, process for treating keratin fibres using it, and device therefor L'OREAL S.A. (FR) 2009-03-12 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-20090064423-A1 Composition comprising at least one substituted acetylenic carbocyanin derivative, process for treating keratin fibres using it, and device therefor KRT18, HADHB, KAT7 APP 2158/4885ACHE 540/4885BCHE 538/4885

“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.