SCHEMBL5388771

SCHEMBL5388771

CCOC(OCC)c1ccc(N(C)C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.38
MAPT P10636 2/20 0.38
ELANE P08246 1/20 0.35
TSHR P16473 4/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
S100B P04271 1/20 0.33
TERT O14746 1/20 0.32
APP P05067 1/20 0.32
MAPK14 Q16539 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MCL1 Q07820 1/20 0.32
APAF1 O14727 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL5389460 0.81 PTGS1 (0.38) MAPTELANETSHRALDH1A1GAA
SCHEMBL5382173 0.81 KMT2A (0.39) MAPTELANETSHRALDH1A1GAA
SCHEMBL5385026 0.80 PDE4A (0.40) TSHRALDH1A1GAAHSD17B10PDE4A
SCHEMBL13630878 0.77 BCHE (0.30)
SCHEMBL13550038 0.77 TSHR (0.36) TSHRALDH1A1HTTMAPK1TDP1
SCHEMBL962867 0.75 MAPT (0.46) CRHR1MAPTTSHRALDH1A1GAA
SCHEMBL38662618 0.75 MAPT (0.46) CRHR1MAPTTSHRALDH1A1GAA
SCHEMBL3193700 0.75 MAPT (0.46) CRHR1MAPTTSHRALDH1A1GAA
SCHEMBL14576378 0.75 CRHR1 (0.40) CRHR1MAPTTSHRALDH1A1GAA
SCHEMBL5386744 0.75 ESR2 (0.44) TSHRALOX15CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US disclosed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 US disclosed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP disclosed
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 US disclosed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 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 (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-20050144740-A1 Agents used for dyeing keratinous fibers KRT18, TUBB3, DSG1 CRHR1 4630/4885MAPT 259/4885ELANE 4059/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 CRHR1 964/4885MAPT 2036/4885ELANE 1824/4885

“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.