SCHEMBL5384556

SCHEMBL5384556

COc1cc(O)cc(OC)c1/C=N/CCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.54
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MAPT P10636 3/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CA12 O43570 1/20 0.41
ALOX5 P09917 2/20 0.38
PTGS2 P35354 2/20 0.38
SHBG P04278 1/20 0.38
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
MAOB P27338 1/20 0.36
CA2 P00918 1/20 0.35
CYP1A1 P04798 1/20 0.34
PTGS1 P23219 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL5384561 1.00 ERN1 (0.54) ERN1HDAC3HDAC1HDAC2MAPT
SCHEMBL5388636 0.86 ERN1 (0.50) ERN1MAPTTSHRCASP1CA12
SCHEMBL5388632 0.86 ERN1 (0.50) ERN1MAPTTSHRCASP1CA12
SCHEMBL5391060 0.83 ERN1 (0.41) ERN1MAPTCYP3A4TSHRPTGS2
SCHEMBL5391057 0.83 ERN1 (0.41) ERN1MAPTCYP3A4TSHRPTGS2
SCHEMBL5379894 0.81 CA12 (0.54) ERN1MAPTCYP3A4TSHRCASP1
SCHEMBL5379889 0.81 CA12 (0.54) ERN1MAPTCYP3A4TSHRCASP1
SCHEMBL5399115 0.79 ERN1 (0.57) ERN1MAPTTSHRCASP1CA12
SCHEMBL5399111 0.79 ERN1 (0.57) ERN1MAPTTSHRCASP1CA12
SCHEMBL5383220 0.77 KMT2A (0.43) ERN1MAPTCYP3A4TSHRCASP1

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 9 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
EP-1715839-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-02 EP disclosed
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 US disclosed
WO-2005063178-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-07-14 WO disclosed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 US disclosed
EP-1534227-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-01 EP disclosed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 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-20050144740-A1 Agents used for dyeing keratinous fibers KRT18, TUBB3, DSG1 ERN1 3791/4885HDAC3 411/4885HDAC1 348/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 ERN1 2205/4885HDAC3 91/4885HDAC1 44/4885

“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.