SCHEMBL3615418

SCHEMBL3615418

CC(C)(C)c1ccc(CNCc2ccccc2)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
MAOB P27338 1/20 0.50
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2D6 P10635 3/20 0.46
KMT2A Q03164 3/20 0.45
ALOX15 P16050 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
MPO P05164 4/20 0.43
BCHE P06276 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL3624749 0.87 MPO (0.61) PKMMAOBRAB9ACYP2D6KMT2A
SCHEMBL3624479 0.83 MEN1 (0.51) MAOBLMNARAB9AKMT2AALOX15
SCHEMBL3856305 0.83 KMT2A (0.52) MAOBLMNAKMT2AALDH1A1KDM4E
SCHEMBL3624101 0.81 ALDH1A1 (0.50) PKMMAOBCYP2D6KMT2AALOX15
SCHEMBL3614690 0.80 ALDH1A1 (0.48) PKMMAOBLMNACYP2D6KMT2A
SCHEMBL3618885 0.78 ALDH1A1 (0.47) PKMMAOBCYP2D6KMT2AALOX15
SCHEMBL3618670 0.77 ALDH1A1 (0.46) PKMMAOBCYP2D6KMT2AALOX15
SCHEMBL3624690 0.77 ALDH1A1 (0.46) PKMMAOBCYP2D6KMT2AALOX15
SCHEMBL3623067 0.76 ALDH1A1 (0.44) PKMMAOBCYP2D6KMT2AALOX15
SCHEMBL15128393 0.76 ALDH1A1 (0.52) PKMMAOBLMNACYP2D6KMT2A

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
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same MERCK SHARP & DOHME LLC 2005-10-20 US 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 PKM 591/4885MAOB 3093/4885LMNA 1464/4885
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same NPEPPS, PHOSPHO1, LNPEP PKM 591/4885MAOB 3093/4885LMNA 1464/4885

“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.