SCHEMBL5388632

SCHEMBL5388632

COc1cc(OC)c(/C=N/CCO)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.50
LMNA P02545 2/20 0.46
CYP1B1 Q16678 4/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CYP1A1 P04798 3/20 0.40
CYP1A2 P05177 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
MAOA P21397 2/20 0.36
MAPT P10636 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL5388636 1.00 ERN1 (0.50) ERN1LMNACYP1B1ABCG2CYP1A1
SCHEMBL5384561 0.86 ERN1 (0.54) ERN1LMNACYP1A1CYP1A2TSHR
SCHEMBL5384556 0.86 ERN1 (0.54) ERN1LMNACYP1A1CYP1A2TSHR
SCHEMBL5389209 0.81 ERN1 (0.52) ERN1CYP1B1CYP1A1CYP1A2TSHR
SCHEMBL5389205 0.81 ERN1 (0.52) ERN1CYP1B1CYP1A1CYP1A2TSHR
SCHEMBL5379894 0.81 CA12 (0.54) ERN1LMNACYP1B1ABCG2CYP1A1
SCHEMBL5379889 0.81 CA12 (0.54) ERN1LMNACYP1B1ABCG2CYP1A1
SCHEMBL18482099 0.80 LMNA (0.50) ERN1LMNACYP1B1ABCG2CYP1A1
SCHEMBL5384310 0.79 GRIN2D (0.56) ERN1LMNACYP1B1CYP1A1CYP1A2
SCHEMBL5384314 0.79 GRIN2D (0.56) ERN1LMNACYP1B1CYP1A1CYP1A2

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 3791/4885LMNA 803/4885CYP1B1 1304/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 ERN1 2205/4885LMNA 160/4885CYP1B1 934/4885

“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.