SCHEMBL5382971

SCHEMBL5382971

COc1cc(/C=N/CCO)c(OC)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.58
CA12 O43570 2/20 0.46
SHBG P04278 1/20 0.42
TSHR P16473 2/20 0.41
CASP1 P29466 1/20 0.41
MAPT P10636 4/20 0.39
CYP1A2 P05177 2/20 0.39
CA2 P00918 2/20 0.39
MAOB P27338 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
CYP3A4 P08684 2/20 0.36
GAA P10253 2/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL5382976 1.00 ERN1 (0.58) ERN1CA12SHBGTSHRCASP1
SCHEMBL5378039 0.88 ERN1 (0.59) ERN1CA12TSHRCASP1MAPT
SCHEMBL5378032 0.88 ERN1 (0.59) ERN1CA12TSHRCASP1MAPT
SCHEMBL5399111 0.79 ERN1 (0.57) ERN1CA12TSHRCASP1MAPT
SCHEMBL5399115 0.79 ERN1 (0.57) ERN1CA12TSHRCASP1MAPT
SCHEMBL4602872 0.76 MAPT (0.66) ERN1SHBGMAPTCYP1A2GAA
SCHEMBL4602874 0.76 MAPT (0.66) ERN1SHBGMAPTCYP1A2GAA
SCHEMBL5384310 0.76 GRIN2D (0.56) ERN1MAPTCYP1A2CA2GAA
SCHEMBL5384314 0.76 GRIN2D (0.56) ERN1MAPTCYP1A2CA2GAA
SCHEMBL5394265 0.76 ERN1 (0.54) ERN1CA12MAPTCYP1A2CA2

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 3791/4885CA12 1931/4885SHBG 745/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 ERN1 2205/4885CA12 443/4885SHBG 1835/4885

“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.