SCHEMBL5269119

SCHEMBL5269119

Nc1cccc(O)c1CN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
CYP2A13 Q16696 3/20 0.54
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 1/20 0.53
HSD17B10 Q99714 7/20 0.49
HPGD P15428 4/20 0.49
GLA P06280 3/20 0.49
GAA P10253 3/20 0.49
CYP2C9 P11712 3/20 0.49
ALOX15 P16050 1/20 0.49
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CXCR4 P61073 1/20 0.47
NCF1 P14598 1/20 0.46
GRIN2B Q13224 1/20 0.45
CASP1 P29466 3/20 0.44

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
Ammonia Solution, Strong SCHEMBL5275016 0.98 KDM4E (0.55) KDM4EKMT2AMAPTCYP2A13ALDH1A1
SCHEMBL7114819 0.88 KDM4E (0.64) KDM4EKMT2AMAPTCYP2A13ALDH1A1
SCHEMBL5272508 0.85 KDM4E (0.55) KDM4EKMT2AMAPTALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL5383153 0.83 KDM4E (0.54) KDM4EKMT2AMAPTALDH1A1MEN1
SCHEMBL5273352 0.83 KDM4E (0.57) KDM4EKMT2AMAPTALDH1A1MEN1
SCHEMBL28662303 0.82 CYP2A13 (0.59) KDM4EKMT2AMAPTCYP2A13ALDH1A1
SCHEMBL5275019 0.81 KDM4E (0.56) KDM4EKMT2AMAPTCYP2A13ALDH1A1
SCHEMBL17845894 0.81 CYP2A13 (0.68) KDM4EKMT2AMAPTCYP2A13ALDH1A1
SCHEMBL5273771 0.81 ALDH1A1 (0.48) KDM4EKMT2AMAPTALDH1A1NCF1
SCHEMBL17857222 0.81 CYP2A13 (0.57) KDM4EKMT2AMAPTCYP2A13ALDH1A1

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
EP-1846361-A2 3-AMINO-2-AMINOMETHYLPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2007-10-24 EP claimed
US-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-01 US claimed
WO-2006086374-A2 3-AMINO-2-AMINOMETHYLPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-08-17 WO claimed
EP-1846361-A2 3-AMINO-2-AMINOMETHYLPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2007-10-24 EP disclosed
US-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-01 US disclosed
WO-2006086374-A2 3-AMINO-2-AMINOMETHYLPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-08-17 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-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds KRT18, COL2A1, COL1A1 KDM4E 295/4885KMT2A 679/4885MAPT 317/4885

“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.