SCHEMBL13614047

SCHEMBL13614047

CN(C)c1ccc(C#Cc2ccc3c[n+](C)ccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALPG P10696 1/20 0.41
GFER P55789 1/20 0.41
APP P05067 4/20 0.40
SNCA P37840 10/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ADK P55263 2/20 0.33
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 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
SCHEMBL13614049 0.83 ASIC3 (0.49) MAPTSMN1; SMN2ALDH1A1APP
SCHEMBL13614046 0.80 KCNH2 (0.47) LMNAHTTSMN1; SMN2APPBCHE
SCHEMBL13614031 0.78 MAPT (0.53) MAPTMEN1LMNATHRBHTT
SCHEMBL15112995 0.72 ALDH1A1 (0.48) MAPTHTTNPSR1ALDH1A1APP
SCHEMBL10300053 0.72 ALDH1A1 (0.65) MAPTALDH1A1APPSNCAADK
SCHEMBL770159 0.72 ALDH1A1 (0.65) MAPTALDH1A1APPSNCAADK
SCHEMBL17170384 0.70 APP (0.40) MAPTMEN1LMNATHRBHTT
SCHEMBL13486851 0.70 APP (0.48) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL13486852 0.70 UGT2B7 (0.49) MAPTAPPSNCANPC1RAB9A
SCHEMBL26913789 0.68 NPC1 (0.48) MAPTALDH1A1APPSNCANPC1

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 1412/4885MEN1 2508/4885LMNA 1781/4885

“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.