SCHEMBL13614128

SCHEMBL13614128

CCN(CC)c1ccc(C#Cc2cc[n+](C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TSHR P16473 2/20 0.44
GFER P55789 2/20 0.44
PSMD14 O00487 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
CHAT P28329 1/20 0.39
ACHE P22303 4/20 0.38
CNR2 P34972 1/20 0.37
BCHE P06276 2/20 0.36
TERT O14746 1/20 0.35
MEN1 O00255 4/20 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
SCHEMBL13614130 0.84 HDAC8 (0.46) ALDH1A1GFERHDAC8CHATACHE
SCHEMBL17327854 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRGFERPSMD14
SCHEMBL13614031 0.79 MAPT (0.53) ALDH1A1TSHRGFERHDAC8CHAT
SCHEMBL13614129 0.77 HDAC8 (0.46) ALDH1A1L3MBTL1TSHRGFERPSMD14
SCHEMBL14596519 0.77 HDAC8 (0.62) HDAC8CHATACHE
SCHEMBL13614029 0.76 CYP2A6 (0.50) ALDH1A1HDAC8CHAT
SCHEMBL1108171 0.76 ALDH1A1 (0.56) ALDH1A1L3MBTL1TSHRGFERPSMD14
SCHEMBL20333981 0.74 MAPT (0.51) ALDH1A1L3MBTL1TSHRGFERPSMD14
SCHEMBL3748597 0.74 ALDH1A1 (0.62) ALDH1A1L3MBTL1TSHRGFERPSMD14
SCHEMBL4567104 0.74 ALDH1A1 (0.62) ALDH1A1L3MBTL1TSHRGFERPSMD14

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 ALDH1A1 323/4885L3MBTL1 2583/4885TSHR 3971/4885

“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.