SCHEMBL13614028

SCHEMBL13614028

C[n+]1ccc(C#Cc2ccc(O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.52
HDAC8 Q9BY41 5/20 0.48
CHAT P28329 1/20 0.44
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA3 P07451 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA6 P23280 1/20 0.41
KCNH2 Q12809 1/20 0.39
ACHE P22303 1/20 0.38
MMP3 P08254 1/20 0.37
QDPR P09417 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
LMNA P02545 1/20 0.36

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 0.85 HDAC8 (0.62) APPHDAC8CHATKCNH2ACHE
SCHEMBL14400750 0.80 APP (0.74) APPCA12CA2CA3CA9
SCHEMBL673609 0.80 APP (0.74) APPCA12CA2CA3CA9
SCHEMBL13614030 0.79 KCNH2 (0.55) HDAC8CHATCA12CA2CA9
SCHEMBL13614108 0.77 HDAC8 (0.61) HDAC8CHATKCNH2LMNA
SCHEMBL13614111 0.77 HDAC8 (0.61) HDAC8CHATKCNH2ACHEKDM4E
SCHEMBL13614027 0.77 APP (0.64) APPHDAC8CHATKCNH2ACHE
SCHEMBL2947328 0.77
SCHEMBL4067660 0.76 APP (0.60) APPHDAC8CHATKCNH2KDM4E
SCHEMBL13614029 0.76 CYP2A6 (0.50) HDAC8CHATKCNH2ALDH1A1

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 2158/4885HDAC8 608/4885CHAT 293/4885

“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.