SCHEMBL13614049

SCHEMBL13614049

C[n+]1ccc2cc(C#Cc3ccccc3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.49
KCNH2 Q12809 2/20 0.41
APP P05067 1/20 0.40
CHAT P28329 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 4/20 0.39
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HNF4A P41235 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
SCHEMBL13614046 0.84 KCNH2 (0.47) KCNH2APPSMN1; SMN2CA12CA1
SCHEMBL13614047 0.83 MAPT (0.41) APPMAPTALDH1A1SMN1; SMN2
SCHEMBL10705668 0.76 ASIC3 (0.63) ASIC3APPMAPTGRM5PDGFRB
SCHEMBL30447338 0.76 ASIC3 (0.63) ASIC3APPMAPTGRM5PDGFRB
SCHEMBL13628830 0.74 APP (0.55) KCNH2APPMAPTALDH1A1SMN1; SMN2
SCHEMBL8628482 0.74 ASIC3 (0.61) ASIC3APPMAPTALDH1A1GRM5
SCHEMBL430978 0.74 ASIC3 (0.61) ASIC3APPMAPTALDH1A1GRM5
SCHEMBL17086882 0.74 CYP1A2 (0.59) ASIC3KCNH2APPGRM5PDGFRB
SCHEMBL4067660 0.73 APP (0.60) KCNH2APPCHATMAPTALDH1A1
SCHEMBL13628810 0.72 HDAC8 (0.61) KCNH2APPCHATMAPTGRM5

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 ASIC3 3613/4885KCNH2 822/4885APP 2158/4885

“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.