SCHEMBL16807334

SCHEMBL16807334

CC(C)CCOc1ccc(N)cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HTT P42858 2/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 1/20 0.64
USP2 O75604 1/20 0.64
TP53 P04637 1/20 0.64
POLB P06746 1/20 0.64
CASP1 P29466 1/20 0.64
CASP7 P55210 1/20 0.64
KMT2A Q03164 1/20 0.64
ATM Q13315 1/20 0.64
TDP1 Q9NUW8 1/20 0.58
TLR8 Q9NR97 1/20 0.48
MCHR1 Q99705 1/20 0.44
PRSS1 P07477 8/20 0.41
ESR1 P03372 1/20 0.40
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8516397 0.88 GAA (0.58) GAAKDM4EALDH1A1HTTMAPT
SCHEMBL3279093 0.84 TDP1 (0.61) GAAKDM4EALDH1A1HTTMAPT
SCHEMBL8099817 0.82 GAA (0.74) GAAKDM4EALDH1A1HTTMAPT
SCHEMBL8134520 0.81 ALDH1A1 (0.73) GAAKDM4EALDH1A1HTTMAPT
SCHEMBL24584894 0.81 ALDH1A1 (0.56) GAAKDM4EALDH1A1HTTMAPT
SCHEMBL1357609 0.81 ALDH1A1 (0.57) GAAKDM4EALDH1A1HTTMAPT
SCHEMBL11227813 0.81 TDP1 (0.56) GAAKDM4EALDH1A1HTTMAPT
Hydrochloric Acid SCHEMBL11224670 0.81 ALDH1A1 (0.78) GAAKDM4EALDH1A1HTTMAPT
SCHEMBL11218926 0.81 GAA (0.71) GAAKDM4EALDH1A1HTTMAPT
SCHEMBL34160 0.81 GAA (0.71) GAAKDM4EALDH1A1HTTMAPT

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 GAA 4553/4885KDM4E 2067/4885ALDH1A1 1145/4885

“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.