SCHEMBL5687618

SCHEMBL5687618

Nc1ccc(-c2cncc(Cl)c2)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
CYP3A4 P08684 5/20 0.39
CYP17A1 P05093 4/20 0.39
FGFR1 P11362 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
IDO1 P14902 2/20 0.36
EIF4E P06730 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
MAP4K4 O95819 1/20 0.35
MAPT P10636 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL7091233 0.81 IDO1 (0.42) MKNK1MKNK2CYP11B1CYP11B2CYP3A4
SCHEMBL5684627 0.80 CA1 (0.48) CA1CA2CYP3A4TSHRCASP1
SCHEMBL5685678 0.79 CYP2A6 (0.41) CA1CA2CYP11B1CYP11B2CYP3A4
SCHEMBL5684855 0.79 TSHR (0.46) CYP11B1CYP11B2CYP3A4TSHRCASP1
SCHEMBL27779502 0.79 HPGD (0.47) MKNK1MKNK2FGFR1IDO1MAPT
Hydrochloric Acid SCHEMBL5684778 0.78 CA1 (0.47) CA1CA2CYP3A4TSHRCASP1
SCHEMBL5684846 0.78 CYP3A4 (0.44) MKNK1MKNK2CA1CA2CYP11B1
Hydrochloric Acid SCHEMBL5687665 0.78 CYP2A6 (0.40) CA1CA2CYP11B1CYP11B2CYP3A4
SCHEMBL25593208 0.78 PLA2G7 (0.47) MKNK1MKNK2CYP3A4FGFR1TSHR
Hydrochloric Acid SCHEMBL5687609 0.77 CYP3A4 (0.42) MKNK1MKNK2CA1CA2CYP11B1

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-7077872-B2 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AG (DE) 2006-07-18 US disclosed
EP-1418879-B1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 2006-04-12 EP disclosed
US-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AKTIENGESELLSCHAFT (DE) 2004-10-14 US disclosed
EP-1418879-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES Wella Aktiengesellschaft (DE) 2004-05-19 EP disclosed
WO-2003017955-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2003-03-06 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 (1 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-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives KRT18, S100P, ALDH7A1 MKNK1 2749/4885MKNK2 2698/4885CA1 2105/4885

“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.