SCHEMBL5162240

SCHEMBL5162240

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACR P10323 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CA2 P00918 1/20 0.31
OPRK1 P41145 1/20 0.30

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 0.82 HSD17B10 (0.42) KDM4EMEN1HPGDKMT2ASLC6A2
SCHEMBL5164349 0.79 POLB (0.45) MEN1ALDH1A1MAPTHTTKMT2A
SCHEMBL5162216 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CA2OPRK1
SCHEMBL5164671 0.78 POLB (0.35) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL5162643 0.77 CYP1A2 (0.45) TYRHTT
SCHEMBL5159578 0.75 HDAC1 (0.34) KDM4EALDH1A1HPGDSLC6A2SLC6A4
SCHEMBL5270844 0.73 CYP3A4 (0.39) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL5162258 0.72 MEN1 (0.45) MEN1ALDH1A1LMNAKMT2A
SCHEMBL29221773 0.71 EGFR (0.49) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL5162141 0.71 CA2 (0.50) MEN1ALDH1A1KMT2ANPSR1CA2

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 3 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

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 TYR 26/4885KDM4E 251/4885MEN1 4874/4885

“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.