SCHEMBL5379784

SCHEMBL5379784

CCOC(C=Cc1ccc(N(CC)CC)cc1)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
ALDH3A1 P30838 1/20 0.50
ALDH1A3 P47895 1/20 0.50
MAPT P10636 8/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 4/20 0.45
GAA P10253 4/20 0.45
MAPK1 P28482 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
RECQL P46063 2/20 0.41
USP2 O75604 2/20 0.41
POLB P06746 2/20 0.41
TLR9 Q9NR96 1/20 0.41
GFER P55789 3/20 0.40
CYP3A4 P08684 2/20 0.40
FGFR1 P11362 1/20 0.40
PSMD14 O00487 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
SCHEMBL5379781 1.00 ALDH1A1 (0.50) ALDH1A1ALDH3A1ALDH1A3MAPTMEN1
SCHEMBL5389072 0.85 APP (0.48) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5389069 0.85 APP (0.48) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11646784 0.79 ALDH1A1 (0.57) ALDH1A1ALDH3A1ALDH1A3MAPTMEN1
SCHEMBL11646780 0.79 ALDH1A1 (0.57) ALDH1A1ALDH3A1ALDH1A3MAPTMEN1
SCHEMBL2298605 0.78 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3MAPTMEN1
SCHEMBL8171054 0.78 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3MAPTMEN1
SCHEMBL2298602 0.78 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3MAPTMEN1
SCHEMBL8171052 0.78 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3MAPTMEN1
SCHEMBL8740782 0.77 MEN1 (0.51) MEN1KMT2AL3MBTL1CYP3A4CYP1A2

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 ALDH1A1 343/4885ALDH3A1 392/4885ALDH1A3 128/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 ALDH1A1 780/4885ALDH3A1 1156/4885ALDH1A3 932/4885

“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.