SCHEMBL5389072

SCHEMBL5389072

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.48
RELA Q04206 1/20 0.47
PTGS1 P23219 1/20 0.46
MAPT P10636 6/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CASP1 P29466 2/20 0.44
HBB P68871 2/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
MAOB P27338 1/20 0.43
HSD17B3 P37058 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NQO2 P16083 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
BRCA1 P38398 1/20 0.42

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
SCHEMBL5389069 1.00 APP (0.48) APPRELAPTGS1MAPTMEN1
SCHEMBL5379784 0.85 ALDH1A1 (0.50) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5379781 0.85 ALDH1A1 (0.50) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8740782 0.78 MEN1 (0.51) RELAMEN1KMT2ARAB9AMAOB
SCHEMBL3276111 0.78 MEN1 (0.51) RELAMEN1KMT2ARAB9AMAOB
SCHEMBL1256630 0.77 CYP3A4 (0.50) RELAPTGS1MAPTSMN1; SMN2NPC1
SCHEMBL1256631 0.77 CYP3A4 (0.50) RELAPTGS1MAPTSMN1; SMN2NPC1
SCHEMBL10411759 0.75 APP (0.53) APPRELAPTGS1MAPTMEN1
SCHEMBL10411760 0.75 APP (0.53) APPRELAPTGS1MAPTMEN1
SCHEMBL30297384 0.75 NPC1 (0.40) PTGS1MEN1KMT2ASMN1; SMN2NPC1

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 APP 2519/4885RELA 3835/4885PTGS1 2349/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 APP 2312/4885RELA 3917/4885PTGS1 2081/4885

“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.