SCHEMBL3615064

SCHEMBL3615064

CC(C)(C)c1cc(O)c(CCNCc2ccccc2)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.48
GAA P10253 3/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MITF O75030 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
GSR P00390 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3621681 0.90 MPO (0.48) MPOGAAMAPTKMT2AKDM4E
SCHEMBL3620361 0.85 MPO (0.50) MPOGAAKMT2AKDM4EMITF
SCHEMBL11580052 0.81 ALOX15 (0.45) TDP1ALDH1A1MAPK1HTTCYP1A2
SCHEMBL5981191 0.80 NR5A2 (0.39) GAAMAPTKMT2AKDM4ETDP1
SCHEMBL11681295 0.79 TSHR (0.46) GAAKMT2AKDM4ETDP1MEN1
SCHEMBL3622905 0.78 ALDH1A1 (0.43) GAAMAPTKMT2AKDM4EMEN1
SCHEMBL3621893 0.77 ALDH1A1 (0.42) MPOKMT2AKDM4EMEN1GSR
SCHEMBL3621188 0.77 MEN1 (0.47) GAAKMT2AKDM4ETDP1MEN1
SCHEMBL3611880 0.75 MC5R (0.44) KMT2AMEN1CA1CA2MAPK1
SCHEMBL3621214 0.75 GSR (0.54) MAPTKMT2AKDM4ETDP1GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MPO 1816/4885GAA 1634/4885MAPT 2069/4885
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same NPEPPS, PHOSPHO1, LNPEP MPO 1816/4885GAA 1634/4885MAPT 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.