SCHEMBL13628823

SCHEMBL13628823

Cc1cccc(C#Cc2ccccc2)[n+]1CC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
VCP P55072 1/20 0.40
KMT2A Q03164 4/20 0.40
PABPC1 P11940 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FFAR1 O14842 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
Bromide SCHEMBL3884586 0.80 KMT2A (0.53) KMT2APABPC1ATMPOLBALDH1A1
SCHEMBL13614048 0.75 KMT2A (0.50) KCNH2KMT2APABPC1ATMPOLB
Bromide SCHEMBL1645657 0.67 KMT2A (0.57) KMT2APABPC1ATMPOLBALDH1A1
SCHEMBL13394254 0.66 KMT2A (0.70) KMT2APABPC1ATMPOLBALDH1A1
SCHEMBL12692232 0.65 SMN1; SMN2 (0.63) VCPKMT2AALDH1A1MEN1RAB9A
SCHEMBL6229208 0.65 KMT2A (0.48) KMT2APABPC1ATMALDH1A1MEN1
Bromide SCHEMBL1645919 0.65 KMT2A (0.73) KMT2APABPC1ATMPOLBALDH1A1
Hydrochloric Acid SCHEMBL15262009 0.65 KMT2A (0.43) KMT2APABPC1ATMPOLBALDH1A1
Bromide SCHEMBL6010154 0.65 KMT2A (0.47) KMT2APABPC1ATMPOLBALDH1A1
Bromide SCHEMBL6228655 0.64 KMT2A (0.49) KMT2APABPC1ATMPOLBALDH1A1

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 KCNH2 822/4885VCP 3851/4885KMT2A 1518/4885

“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.