SCHEMBL4067660

SCHEMBL4067660

C[n+]1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.60
CHAT P28329 3/20 0.56
KCNH2 Q12809 2/20 0.56
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
SLC22A3 O75751 1/20 0.54
SLC6A4 P31645 1/20 0.54
HDAC8 Q9BY41 2/20 0.52
MAPT P10636 2/20 0.46
GRM5 P41594 4/20 0.43
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL14596519 0.89 HDAC8 (0.62) APPCHATKCNH2SLC22A2SLC22A1
SCHEMBL13628810 0.79 HDAC8 (0.61) APPCHATKCNH2SLC22A2SLC22A1
SCHEMBL13614030 0.78 KCNH2 (0.55) CHATKCNH2HDAC8GRM5ALDH1A1
Iodide SCHEMBL3260441 0.78 HDAC8 (0.59) APPCHATKCNH2HDAC8MAPT
Diphenylacetylene SCHEMBL68254 0.78 APP (1.00) APPKCNH2MAPTGRM5NPC1
Diphenylacetylene SCHEMBL29188592 0.78 APP (1.00) APPKCNH2MAPTGRM5NPC1
Diphenylacetylene SCHEMBL960609 0.78 APP (1.00) APPKCNH2MAPTGRM5NPC1
SCHEMBL18870374 0.77 HDAC8 (0.54) CHATSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL13614027 0.76 APP (0.64) APPCHATKCNH2SLC22A2SLC22A1
SCHEMBL13628830 0.76 APP (0.55) APPKCNH2HDAC8MAPTGRM5

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-1997475-A2 Composition comprising at least one substituted derivative of acetylenic carbocyanine, method of treating keratinous fibres implementing it and device L'Oréal (FR) 2008-12-03 EP claimed
EP-2018848-B1 Hair composition comprising at least one fluorescent dye and at least one alkali hydroxide agent and method of simultaneous styling, dyeing and/or lightening. OREAL (FR) 2013-01-09 EP disclosed
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-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
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
EP-2018848-A2 Hair composition comprising at least one fluorescent dye and at least one alkali hydroxide agent and method of simultaneous styling, dyeing and/or lightening. L'Oreal (FR) 2009-01-28 EP disclosed
EP-1997475-A2 Composition comprising at least one substituted derivative of acetylenic carbocyanine, method of treating keratinous fibres implementing it and device L'Oréal (FR) 2008-12-03 EP 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 2158/4885CHAT 293/4885KCNH2 822/4885

“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.