SCHEMBL13614129

SCHEMBL13614129

CCN(CC)c1ccc(C#Cc2cccc[n+]2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.46
KCNH2 Q12809 5/20 0.41
ACHE P22303 4/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
GFER P55789 2/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
PSMD14 O00487 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOX1 Q9Y5S8 1/20 0.36
ALDH3A1 P30838 1/20 0.35

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
SCHEMBL4072516 0.78 KCNH2 (0.64) HDAC8KCNH2MEN1RAB9AKMT2A
SCHEMBL13614128 0.77 ALDH1A1 (0.44) HDAC8ACHEMEN1RAB9AKMT2A
SCHEMBL9615907 0.72 ALDH1A1 (0.44) ACHEMEN1RAB9AKMT2AGFER
SCHEMBL13980295 0.71 ACHE (0.50) ACHEMEN1RAB9AKMT2AGFER
SCHEMBL1108171 0.69 ALDH1A1 (0.56) MEN1RAB9AKMT2AGFERNPC1
SCHEMBL1099561 0.67 ALDH1A1 (0.52) HDAC8MEN1RAB9AKMT2AGFER
SCHEMBL13914222 0.67 KMT2A (0.44) ACHEMEN1RAB9AKMT2AGFER
SCHEMBL4567105 0.67 RAB9A (0.60) ACHEMEN1RAB9AKMT2AGFER
SCHEMBL20333994 0.67 KMT2A (0.44) ACHEMEN1RAB9AKMT2AGFER
SCHEMBL17370955 0.67 CHAT (0.54) ACHEMEN1RAB9AKMT2AGFER

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 HDAC8 608/4885KCNH2 822/4885ACHE 540/4885

“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.