SCHEMBL7127271

SCHEMBL7127271

C[N+](CCO)(CCO)CC(O)COc1ccc(N)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
USP2 O75604 2/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
CYP2C19 P33261 1/20 0.42
PSMD14 O00487 1/20 0.35
PLA2G1B P04054 1/20 0.35
MMP2 P08253 1/20 0.35
RAD52 P43351 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
CYP1A2 P05177 2/20 0.33

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
SCHEMBL7121033 0.86 KDM4E (0.42) GAAKDM4EALDH1A1MAPTUSP2
SCHEMBL7116591 0.86 GAA (0.50) GAAKDM4EALDH1A1MAPTUSP2
SCHEMBL11151986 0.81 GAA (0.53) GAAKDM4EALDH1A1MAPTUSP2
SCHEMBL15568434 0.80 GAA (0.55) GAAKDM4EALDH1A1MAPTUSP2
SCHEMBL7117957 0.80 GAA (0.51) GAAKDM4EALDH1A1MAPTUSP2
SCHEMBL462467 0.79 KDM4E (0.49) GAAKDM4EALDH1A1MAPTUSP2
SCHEMBL7121032 0.79 GAA (0.46) GAAKDM4EALDH1A1MAPTUSP2
SCHEMBL7120505 0.79 GAA (0.50) GAAKDM4EALDH1A1MAPTUSP2
SCHEMBL11150521 0.79 GAA (0.55) GAAKDM4EALDH1A1MAPTUSP2
Bromide SCHEMBL7124452 0.78 GAA (0.50) GAAKDM4EALDH1A1MAPTUSP2

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
EP-1359888-A1 COUPLERS FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-11-12 EP disclosed
US-20020144700-A1 Couplers for oxidative coloration of hair CLAIROL INCORPORATED 2002-10-10 US disclosed
WO-2002058659-A1 COUPLERS FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-08-01 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-20020144700-A1 Couplers for oxidative coloration of hair CBR1, CBR3, MT-CO1 GAA 4787/4885KDM4E 2095/4885ALDH1A1 37/4885

“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.