SCHEMBL3620122

SCHEMBL3620122

COc1cc(C(C)(C)C)cc(C(C)(C)C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HTR2A P28223 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8254154 0.87 MAPT (0.39) CYP3A4LMNATP53HPGDALOX15
SCHEMBL16302410 0.82 POLB (0.40) CYP3A4LMNATP53HPGDALOX15
SCHEMBL198146 0.80 GABRA1 (0.42) CYP3A4LMNAHPGDALOX15CA1
SCHEMBL15180048 0.80 CA1 (0.53) CYP3A4LMNATP53HPGDALOX15
SCHEMBL10019863 0.78 CYP3A4 (0.42) CYP3A4LMNATP53HPGDALOX15
SCHEMBL852265 0.76 CA2 (0.53) CYP3A4LMNATP53HPGDALOX15
SCHEMBL18892668 0.76 LMNA (0.41) CYP3A4LMNATP53HPGDALOX15
SCHEMBL21519791 0.75 MAPT (0.36) CYP3A4LMNATP53HPGDALOX15
SCHEMBL17594925 0.74 POLB (0.44) CYP3A4TP53ALOX15CA1CA2
SCHEMBL3770921 0.72 CA2 (0.42) CYP3A4LMNATP53HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848683-A Biphenyl tridentate phosphite ligand and preparation method and application thereof 南方科技大学 2020-10-30 CN disclosed
CN-111747827-A Biphenyl triphenol compound and preparation method and application thereof 南方科技大学 2020-10-09 CN 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 CYP3A4 874/4885LMNA 1464/4885TP53 3650/4885
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same NPEPPS, PHOSPHO1, LNPEP CYP3A4 874/4885LMNA 1464/4885TP53 3650/4885

“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.