SCHEMBL13614048

SCHEMBL13614048

O=C(C[n+]1ccccc1C#Cc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.50
MEN1 O00255 5/20 0.50
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.43
KDM4E B2RXH2 5/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.42
KCNH2 Q12809 1/20 0.41
ATM Q13315 2/20 0.40
LMNA P02545 1/20 0.40
ALPG P10696 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL13628823 0.75 KCNH2 (0.45) KMT2AMEN1ALDH1A1POLBKDM4E
Bromide SCHEMBL6228683 0.72 KMT2A (0.61) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL13394254 0.72 KMT2A (0.70) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL29669559 0.72 KMT2A (0.57) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL7047435 0.72 KMT2A (0.57) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL28555637 0.72 KMT2A (0.57) KMT2AMEN1ALDH1A1POLBKDM4E
Bromide SCHEMBL1645919 0.71 KMT2A (0.73) KMT2AMEN1ALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL11491189 0.71 KMT2A (0.55) KMT2AMEN1ALDH1A1POLBKDM4E
Ammonia Solution, Strong SCHEMBL28760024 0.71 KMT2A (0.55) KMT2AMEN1ALDH1A1POLBKDM4E
Bromide SCHEMBL11248275 0.71 KMT2A (0.59) KMT2AMEN1ALDH1A1POLBKDM4E

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 3 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

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 KMT2A 1518/4885MEN1 2508/4885ALDH1A1 323/4885

“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.