SCHEMBL6287850

SCHEMBL6287850

CCOCOc1ccc(NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.43
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CYP17A1 P05093 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPKAPK2 P49137 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL13907633 0.79 CA12 (0.49) AAK1CA12CA1CA9PRMT5
SCHEMBL16042474 0.78 CA12 (0.43) AAK1CA12CA1CA9PRMT5
SCHEMBL6096438 0.78 MAPT (0.44) CA12CA1CA9PPARGALDH1A1
SCHEMBL3767805 0.78 AAK1 (0.45) AAK1CA12CA1CA9PRMT5
SCHEMBL31061614 0.77 ALDH1A1 (0.48) AAK1CA12CA1CA9PRMT5
SCHEMBL65972 0.77 ALDH1A1 (0.48) AAK1CA12CA1CA9PRMT5
SCHEMBL12072363 0.77 CA12 (0.49) AAK1CA12CA1CA9PRMT5
SCHEMBL20936579 0.76 CA12 (0.44) AAK1CA12CA1CA9PRMT5
SCHEMBL6096016 0.76 CA12 (0.41) CA12CA1CA9PPARGALDH1A1
SCHEMBL15897919 0.76 AAK1 (0.45) AAK1CA12CA1CA9PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 AAK1 2595/4885CA12 2067/4885CA1 3303/4885
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same KRT18, AASDHPPT, S100P AAK1 1282/4885CA12 3181/4885CA1 3488/4885
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds AHR, KRT18, HMOX2 AAK1 2550/4885CA12 4045/4885CA1 4611/4885

“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.