SCHEMBL5383595

SCHEMBL5383595

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.47
CYP1A1 P04798 4/20 0.47
ERN1 O75460 1/20 0.45
NQO2 P16083 4/20 0.42
ALDH1A1 P00352 2/20 0.41
ABL1 P00519 4/20 0.41
BCR P11274 4/20 0.41
PTGS2 P35354 3/20 0.41
ALOX5 P09917 3/20 0.41
TTR P02766 2/20 0.41
ABCB1 P08183 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL5383597 1.00 CYP1B1 (0.47) CYP1B1CYP1A1ERN1NQO2ALDH1A1
SCHEMBL5382725 0.83 CHRM5 (0.62) ALDH1A1PTGS2MEN1NPC1MAPT
SCHEMBL5382728 0.83 CHRM5 (0.62) ALDH1A1PTGS2MEN1NPC1MAPT
SCHEMBL3608505 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL3608506 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL4602696 0.79 KMT2A (0.62) ERN1ALDH1A1ABL1BCRPTGS2
SCHEMBL5388636 0.79 ERN1 (0.50) CYP1B1CYP1A1ERN1MAPTCYP1A2
SCHEMBL4602692 0.79 KMT2A (0.62) ERN1ALDH1A1ABL1BCRPTGS2
SCHEMBL5388632 0.79 ERN1 (0.50) CYP1B1CYP1A1ERN1MAPTCYP1A2
SCHEMBL22925041 0.79 CYP1B1 (0.52) CYP1B1CYP1A1NQO2ALDH1A1ABL1

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 CYP1B1 1304/4885CYP1A1 1744/4885ERN1 3791/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 CYP1B1 934/4885CYP1A1 728/4885ERN1 2205/4885

“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.