SCHEMBL6096909

SCHEMBL6096909

CC(C)(C)OC(=O)Nc1ccc(O)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
CYP17A1 P05093 3/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 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
SCHEMBL12145454 0.88 CA1 (0.48) CA1CA12CA9ACHEBACE1
SCHEMBL28423282 0.85 CA12 (0.51) CA1CA12CA9ACHEBACE1
SCHEMBL2349732 0.84 CA12 (0.54) CA1CA12CA9CYP17A1HDAC3
SCHEMBL4612314 0.84 CA12 (0.48) CA1CA12CA9CYP17A1HDAC3
SCHEMBL31214788 0.84 CA12 (0.54) CA1CA12CA9CYP17A1HDAC3
SCHEMBL16044613 0.83 CA12 (0.47) CA1CA12CA9CYP17A1HDAC3
SCHEMBL1440700 0.83 CA12 (0.47) CA1CA12CA9CYP17A1HDAC3
SCHEMBL458392 0.83 CNR2 (0.53) CA1CA12CA9CYP17A1HDAC3
SCHEMBL29757277 0.83 CA12 (0.56) CA1CA12CA9ACHEBACE1
SCHEMBL4700051 0.83 CA12 (0.56) CA1CA12CA9ACHEBACE1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7070626-B2 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-04 US disclosed
CN-1205179-C (P-aminohydroxyphenyl) acrylamide derivatives and coloring agents containing the same P & G CLAROLL CORP (US) 2005-06-08 CN disclosed
US-6840965-B2 P-aminophenols and colorants containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-01-11 US disclosed
US-6749644-B2 DEVELOPER AND COUPLER; WIDE RANGE OF DIFFERENT COLOR SHADES FROM BLOND TO BROWN, PURPLE, VIOLET AND EVEN BLUE AND BLACK; INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
US-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-16 US disclosed
CN-1437578-A (P-amino-hyaroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2003-08-20 CN disclosed
US-6592631-B2 Useful as developer compounds in oxidation dye compositions for keratin fibers. WELLA AG (DE) 2003-07-15 US disclosed
US-20030110577-A1 Novel p-aminophenols and colorants containing said compounds WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US disclosed
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-14 US disclosed
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2001-12-27 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 (4 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-20030110577-A1 Novel p-aminophenols and colorants containing said compounds ALPP, GSTP1, GPX4 CA1 3303/4885CA12 2067/4885CA9 2409/4885
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same KRT18, AASDHPPT, S100P CA1 3488/4885CA12 3181/4885CA9 3349/4885
US-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds KRT18, ALDH7A1, IK CA1 2675/4885CA12 3917/4885CA9 3006/4885
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds AHR, KRT18, HMOX2 CA1 4611/4885CA12 4045/4885CA9 3827/4885

“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.