SCHEMBL13614031

SCHEMBL13614031

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
ALPG P10696 1/20 0.53
THRB P10828 1/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
APP P05067 6/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC8 Q9BY41 2/20 0.45
CHAT P28329 1/20 0.42
ADK P55263 2/20 0.41
SNCA P37840 5/20 0.40
ACACB O00763 1/20 0.40

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 0.85 HDAC8 (0.46) MAPTALDH1A1MEN1LMNAALPG
SCHEMBL10300053 0.84 ALDH1A1 (0.65) MAPTALDH1A1APPTSHRALOX15
SCHEMBL770159 0.84 ALDH1A1 (0.65) MAPTALDH1A1APPTSHRALOX15
SCHEMBL14596519 0.82 HDAC8 (0.62) APPHDAC8CHAT
SCHEMBL1940232 0.79 ALDH1A1 (0.61) MAPTALDH1A1MEN1LMNAALPG
SCHEMBL13614128 0.79 ALDH1A1 (0.44) MAPTALDH1A1MEN1GFERKMT2A
SCHEMBL13614047 0.78 MAPT (0.41) MAPTALDH1A1MEN1LMNAALPG
Iodide SCHEMBL3748614 0.77 ALDH1A1 (0.65) MAPTALDH1A1MEN1LMNAALPG
Hydrochloric Acid SCHEMBL3748847 0.77 ALDH1A1 (0.59) MAPTALDH1A1MEN1LMNAALPG
SCHEMBL2555531 0.76 APP (0.57) MAPTALDH1A1MEN1KMT2ANPSR1

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 MAPT 1412/4885ALDH1A1 323/4885MEN1 2508/4885

“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.