SCHEMBL5163737

SCHEMBL5163737

Nc1ccc(O)cc1CC(=O)NCCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
PTGS1 P23219 1/20 0.42
TRPV1 Q8NER1 2/20 0.39
CDK1 P06493 1/20 0.38
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA3 P42263 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL5164514 0.91 CNR2 (0.39) TRPV1CNR1CNR2GAAMEN1
SCHEMBL5163009 0.87 CA1 (0.49) PTGS2TRPV1ALOX5HPGDCA1
SCHEMBL5160286 0.85 PDK2 (0.38) TRPV1GRIA1GRIA3CA1CA2
SCHEMBL5161617 0.84 TSHR (0.41) PTGS2TRPV1TP53L3MBTL1ALOX5
SCHEMBL5159800 0.83 ALDH1A1 (0.47) L3MBTL1GAAHPGDHTTCA2
SCHEMBL5162190 0.80 MEN1 (0.40) PTGS2ALOX5HPGDMEN1KMT2A
SCHEMBL5159732 0.80 CA2 (0.50) L3MBTL1HPGDCA2EGFR
Ammonia Solution, Strong SCHEMBL5159727 0.79 CA2 (0.49) L3MBTL1HPGDCA2EGFR
SCHEMBL5162503 0.78 PTGS2 (0.36) PTGS2TRPV1CDK1TP53MAPK1
SCHEMBL5164205 0.77 MEN1 (0.36) PTGS2GAAHPGDCA2MEN1

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-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
WO-2007026313-A2 4-AMINOPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 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-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds KRT18, S100A4, CKAP4 PTGS2 1840/4885PTGS1 1255/4885TRPV1 930/4885

“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.