SCHEMBL6096438

SCHEMBL6096438

CCOCOc1ccc(NC(=O)OC(C)(C)C)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
PPARG P37231 1/20 0.40
CYP17A1 P05093 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL5889010 0.90 ALDH1A1 (0.44) MAPTSMN1; SMN2TP53KMT2AALDH1A1
SCHEMBL6096016 0.83 CA12 (0.41) MAPTALDH1A1RAB9AGAACA12
SCHEMBL6094411 0.83 MAPT (0.50) MAPTSMN1; SMN2TP53KMT2AMEN1
SCHEMBL31679547 0.80 ALDH1A1 (0.56) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL8708428 0.80 ALDH1A1 (0.56) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6097933 0.80 GAA (0.39) KMT2AMEN1ALDH1A1GAACA12
SCHEMBL6571505 0.80 GAA (0.39) KMT2AMEN1ALDH1A1GAACA12
SCHEMBL6154459 0.80 TDP1 (0.45) MAPTSMN1; SMN2TP53KMT2AMEN1
SCHEMBL6097203 0.79 ALDH1A1 (0.41) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL6287850 0.78 AAK1 (0.43) ALDH1A1GAACA12CA1CA9

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 8 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
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
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 MAPT 1924/4885SMN1; SMN2 4260/4885TP53 188/4885
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same KRT18, AASDHPPT, S100P MAPT 663/4885SMN1; SMN2 4838/4885TP53 304/4885
US-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds KRT18, ALDH7A1, IK MAPT 666/4885SMN1; SMN2 4044/4885TP53 49/4885
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds AHR, KRT18, HMOX2 MAPT 2163/4885SMN1; SMN2 4836/4885TP53 2793/4885

“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.