SCHEMBL16807232

SCHEMBL16807232

Nc1ccc(OCCOCCO)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
CASP1 P29466 1/20 0.57
HTT P42858 1/20 0.57
CASP7 P55210 1/20 0.57
ATM Q13315 1/20 0.57
APP P05067 3/20 0.51
PRSS1 P07477 8/20 0.47
NCF1 P14598 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL16807228 1.00 MEN1 (0.57) MEN1KMT2AUSP2KDM4EALDH1A1
SCHEMBL6843117 0.91 GAA (0.67) MEN1KMT2AUSP2KDM4EALDH1A1
SCHEMBL29358757 0.89 MAPT (0.65) MEN1KMT2AUSP2KDM4EALDH1A1
SCHEMBL35916 0.89 MAPT (0.65) MEN1KMT2AUSP2KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL27977263 0.87 MAPT (0.62) MEN1KMT2AUSP2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1453993 0.87 GAA (0.68) MEN1KMT2AUSP2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29378616 0.87 GAA (0.68) MEN1KMT2AUSP2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL33976 0.87 GAA (0.68) MEN1KMT2AUSP2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29356501 0.87 GAA (0.68) MEN1KMT2AUSP2KDM4EALDH1A1
SCHEMBL5792387 0.86 APP (0.51) MEN1KMT2AUSP2KDM4EALDH1A1

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-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2016-10-27 US disclosed
US-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2016-10-27 US disclosed
WO-2015086676-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2015-06-18 WO 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-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT KRT18, VIM, SORD MEN1 2491/4885KMT2A 1695/4885USP2 3927/4885

“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.