SCHEMBL13628810

SCHEMBL13628810

C[n+]1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.61
APP P05067 1/20 0.52
KCNH2 Q12809 2/20 0.50
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CHAT P28329 1/20 0.40
CA1 P00915 1/20 0.39
GRM5 P41594 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NNMT P40261 1/20 0.38
USP2 O75604 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38

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
Iodide SCHEMBL3260441 0.98 HDAC8 (0.59) HDAC8APPKCNH2NPC1MTOR
SCHEMBL13628830 0.80 APP (0.55) HDAC8APPKCNH2NPC1MTOR
SCHEMBL4067660 0.79 APP (0.60) HDAC8APPKCNH2NPC1MTOR
SCHEMBL13628918 0.79 HDAC8 (0.47) HDAC8APPKCNH2MAPTCA12
SCHEMBL7702350 0.76
SCHEMBL8731836 0.76
SCHEMBL8987968 0.76 HDAC8 (1.00) HDAC8MAPTNNMTUSP2
Diphenylacetylene SCHEMBL27492171 0.75 APP (0.92) APPKCNH2NPC1MTORRAB9A
Iodide SCHEMBL8404077 0.74 HDAC8 (0.96) HDAC8RAB9AMAPTNNMTUSP2
Diphenylacetylene SCHEMBL28323591 0.72 APP (0.86) APPKCNH2NPC1MTORRAB9A

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 608/4885APP 2158/4885KCNH2 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.