SCHEMBL5162216

SCHEMBL5162216

CN(C)C(=O)Cc1cc(O)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
JAK1 P23458 1/20 0.35
PDK2 Q15119 2/20 0.35
HSP90AA1 P07900 1/20 0.35
PCNA P12004 1/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
EGFR P00533 1/20 0.33
OPRK1 P41145 1/20 0.33
CHEK1 O14757 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
NUDT1 P36639 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL5162267 0.83 HSD17B10 (0.42) SLC6A2SLC6A4SLC6A3HSP90AA1CA12
SCHEMBL3133362 0.82 EGFR (0.47) PCNACA12CA1CA2CA7
SCHEMBL5164349 0.81 POLB (0.45)
SCHEMBL5270844 0.80 CYP3A4 (0.39) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL5164671 0.79 POLB (0.35) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL5162643 0.79 CYP1A2 (0.45)
SCHEMBL5162240 0.79 TYR (0.36) SLC6A2SLC6A4SLC6A3CA2OPRK1
SCHEMBL29221773 0.78 EGFR (0.49) CA2EGFR
SCHEMBL5162141 0.78 CA2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1645151 0.78 ALDH1A1 (0.47) PDK2HSP90AA1CA12CA1CA2

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-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
EP-1762218-A1 4-aminophenol derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-14 EP claimed
WO-2007026313-A2 4-AMINOPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
EP-1762218-A1 4-aminophenol derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-14 EP 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-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds KRT18, S100A4, CKAP4 SLC6A2 2330/4885SLC6A4 1001/4885SLC6A3 2595/4885

“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.