SCHEMBL7250892

SCHEMBL7250892

O=C(Nc1ccccc1O)N(CCO)CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.47
NPC1 O15118 4/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
KDM1A O60341 1/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 4/20 0.42
METAP2 P50579 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
GUSB P08236 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL11133449 0.83 MAPT (0.54) GAANPC1TP53LMNAHTT
SCHEMBL8217293 0.81 GUSB (0.56) NPC1LMNAMAPTRAB9AGUSB
SCHEMBL7256367 0.81 ABCC1 (0.55) GAANPC1TP53LMNAHTT
SCHEMBL4667396 0.78 MAPT (0.38) GAANPC1MAPTKMT2AMEN1
SCHEMBL7256084 0.78 POLB (0.56) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL6294952 0.77 NPSR1 (0.62) NPC1TP53MAPTKMT2AMEN1
SCHEMBL4667388 0.75 GAA (0.41) GAANPC1MAPTKMT2AMEN1
SCHEMBL7251062 0.74 CA12 (0.37) MMP2ALDH1A1
SCHEMBL4670047 0.74 TDP1 (0.39) GAANPC1TP53LMNAHTT
SCHEMBL4048833 0.74 GAA (0.53) GAANPC1TP53LMNAHTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635091-B2 Oxidation color dye and coupler L'OREAL S. A. (FR) 2003-10-21 US claimed
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 US claimed
US-20010034914-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one coupler, and dyeing methods L'OREAL S.A. (FR) 2001-11-01 US claimed
EP-1129689-A2 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing L'OREAL (FR) 2001-09-05 EP claimed
US-6635091-B2 Oxidation color dye and coupler L'OREAL S. A. (FR) 2003-10-21 US disclosed
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 US disclosed
EP-1175198-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2002-01-30 EP disclosed
US-20010034914-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one coupler, and dyeing methods L'OREAL S.A. (FR) 2001-11-01 US disclosed
EP-1129689-A2 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing L'OREAL (FR) 2001-09-05 EP disclosed
WO-2001062220-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2001-08-30 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 (2 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-20010034914-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one coupler, and dyeing methods KRT18, FH, FGB GAA 4640/4885NPC1 4448/4885TP53 2636/4885
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods FH, KRT18, CYB5R3 GAA 4734/4885NPC1 4742/4885TP53 1501/4885

“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.