SCHEMBL3626563

SCHEMBL3626563

CC(C)(C)c1cc(O)c(CCN)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.56
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
ALOX15 P16050 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 3/20 0.39
ATP2A2 P16615 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATP2A3 Q93084 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HSP90AA1 P07900 1/20 0.37
TAAR1 Q96RJ0 4/20 0.37
HTR2A P28223 1/20 0.37
RECQL P46063 4/20 0.36
MAPK1 P28482 3/20 0.36
ADRA2A P08913 2/20 0.36

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
SCHEMBL1159884 0.85 ALDH1A1 (0.41) HTR1DALDH1A1MAPTALOX15KDM4E
SCHEMBL29450175 0.85 ALDH1A1 (0.41) HTR1DALDH1A1MAPTALOX15KDM4E
SCHEMBL30438699 0.84 ALDH1A1 (0.40) HTR1DALDH1A1MAPTALOX15KDM4E
Hydrochloric Acid SCHEMBL3624760 0.84 ALDH1A1 (0.40) HTR1DALDH1A1MAPTALOX15KDM4E
SCHEMBL6299373 0.81 ALDH1A1 (0.44) HTR1DALDH1A1MAPTALOX15KDM4E
SCHEMBL27818403 0.81 HPGD (0.50) HTR1DALDH1A1MAPTALOX15KDM4E
SCHEMBL27877809 0.79 ALDH1A1 (0.43) HTR1DALDH1A1MAPTALOX15KDM4E
SCHEMBL5981191 0.77 NR5A2 (0.39) HTR1DALDH1A1MAPTALOX15KDM4E
SCHEMBL3616927 0.75 ALDH1A1 (0.39) HTR1DALDH1A1MAPTALOX15KDM4E
SCHEMBL11580052 0.74 ALOX15 (0.45) ALDH1A1ALOX15CYP1A2TDP1HSD17B10

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298949-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME MERCK SHARP & DOHME LLC 2009-12-03 US claimed
US-7589127-B2 Aminoalkylphenols, methods of using and making the same MERCK & CO., INC. (US) 2009-09-15 US claimed
EP-1517879-A4 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME MERCK & CO INC (US) 2006-09-13 EP claimed
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same MERCK SHARP & DOHME LLC 2005-10-20 US claimed
EP-1517879-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME Merck & Co., Inc. (US) 2005-03-30 EP claimed
WO-2004000783-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME MERCK & CO., INC. (US) 2003-12-31 WO claimed
EP-1517879-B1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME MERCK SHARP & DOHME (US) 2014-06-04 EP disclosed
US-7834062-B2 Aminoalkylphenols, methods of using and making the same MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20090298949-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME MERCK SHARP & DOHME LLC 2009-12-03 US disclosed
US-7589127-B2 Aminoalkylphenols, methods of using and making the same MERCK & CO., INC. (US) 2009-09-15 US disclosed
EP-1517879-A4 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME MERCK & CO INC (US) 2006-09-13 EP disclosed
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same MERCK SHARP & DOHME LLC 2005-10-20 US disclosed
EP-1517879-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME Merck & Co., Inc. (US) 2005-03-30 EP disclosed
WO-2004000783-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME MERCK & CO., INC. (US) 2003-12-31 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 (2 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-20090298949-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME NPEPPS, PHOSPHO1, LNPEP HTR1D 3493/4885ALDH1A1 1120/4885MAPT 2069/4885
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same NPEPPS, PHOSPHO1, LNPEP HTR1D 3493/4885ALDH1A1 1120/4885MAPT 2069/4885

“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.