SCHEMBL13614111

SCHEMBL13614111

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.61
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
CHAT P28329 1/20 0.44
ACACB O00763 1/20 0.37
CYP2A6 P11509 1/20 0.36
KCNH2 Q12809 4/20 0.35
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC22A3 O75751 1/20 0.34
SLC6A4 P31645 1/20 0.34
ACHE P22303 1/20 0.33

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) HDAC8CHATKCNH2SLC22A2SLC22A1
SCHEMBL20015760 0.80 CYP2A6 (0.57) ALDH1A1KDM4EACACBCYP2A6
SCHEMBL1246271 0.80 CYP2A6 (0.57) ALDH1A1KDM4EACACBCYP2A6
SCHEMBL13614030 0.79 KCNH2 (0.55) HDAC8ALDH1A1CHATCYP2A6KCNH2
SCHEMBL13614108 0.77 HDAC8 (0.61) HDAC8CHATACACBCYP2A6KCNH2
SCHEMBL13614028 0.77 APP (0.52) HDAC8ALDH1A1KDM4EHPGDRAB9A
SCHEMBL13614027 0.77 APP (0.64) HDAC8RAB9ACHATKCNH2SLC22A2
SCHEMBL3454528 0.77
SCHEMBL4067660 0.76 APP (0.60) HDAC8ALDH1A1KDM4EHPGDCYP2C19
SCHEMBL13614029 0.76 CYP2A6 (0.50) HDAC8ALDH1A1CHATACACBCYP2A6

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 4 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
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 608/4885ALDH1A1 323/4885KDM4E 2712/4885

“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.