SCHEMBL3614754

SCHEMBL3614754

CC(N)c1c(O)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
ALOX15 P16050 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ATP2A2 P16615 1/20 0.40
ATP2A3 Q93084 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HSP90AA1 P07900 1/20 0.38
TSHR P16473 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 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
SCHEMBL28180994 0.79 CYP2C19 (0.44) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL9744663 0.76 ALDH1A1 (0.48) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL3621243 0.75 CYP2C19 (0.38) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL3864949 0.74 ALDH1A1 (0.38) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL6566674 0.72 POLB (0.46) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL30378905 0.72 POLB (0.46) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL247483 0.71 CA2 (0.52) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL29387025 0.71 ALDH1A1 (0.50) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL2172272 0.71 ALDH1A1 (0.50) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL29416834 0.71 CA2 (0.52) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT

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 15 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-20060194840-A1 Method for treating snoring and sleep apnea with leukotriene antagonists UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION 2006-08-31 US 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 (3 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-20060194840-A1 Method for treating snoring and sleep apnea with leukotriene antagonists LTB4R2, LTB4R, CYSLTR2 ALDH1A1 928/4885ALOX15 10/4885SMN1; SMN2 2702/4885
US-20090298949-A1 AMINOALKYLPHENOLS, METHODS OF USING AND MAKING THE SAME NPEPPS, PHOSPHO1, LNPEP ALDH1A1 1120/4885ALOX15 1248/4885SMN1; SMN2 4604/4885
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same NPEPPS, PHOSPHO1, LNPEP ALDH1A1 1120/4885ALOX15 1248/4885SMN1; SMN2 4604/4885

“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.