SCHEMBL13614130

SCHEMBL13614130

C[n+]1ccc(C#Cc2ccc(N(c3ccc(C#Cc4cc[n+](C)cc4)cc3)c3ccc(C#Cc4cc[n+](C)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.46
CHAT P28329 1/20 0.43
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALPG P10696 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNH2 Q12809 4/20 0.34
APP P05067 4/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
SLC6A4 P31645 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL13614031 0.85 MAPT (0.53) HDAC8CHATMEN1ALDH1A1LMNA
SCHEMBL13614128 0.84 ALDH1A1 (0.44) HDAC8CHATMEN1ALDH1A1MAPT
SCHEMBL14596519 0.83 HDAC8 (0.62) HDAC8CHATKCNH2APPSLC22A2
SCHEMBL13614029 0.78 CYP2A6 (0.50) HDAC8CHATALDH1A1KCNH2
SCHEMBL13614030 0.77 KCNH2 (0.55) HDAC8CHATALDH1A1KCNH2ACHE
Hydrochloric Acid SCHEMBL18740652 0.76 HDAC8 (0.46) HDAC8CHATMEN1ALDH1A1LMNA
Fluoride Ion SCHEMBL18740610 0.76 HDAC8 (0.46) HDAC8CHATMEN1ALDH1A1LMNA
SCHEMBL13614027 0.76 APP (0.64) HDAC8CHATMEN1MAPTKMT2A
SCHEMBL13614108 0.76 HDAC8 (0.61) HDAC8CHATLMNAKCNH2
SCHEMBL13614028 0.76 APP (0.52) HDAC8CHATMEN1ALDH1A1LMNA

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 3 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-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 HDAC8 608/4885CHAT 293/4885MEN1 2508/4885

“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.