SCHEMBL3620680

SCHEMBL3620680

C=CCNCc1c(O)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 2/20 0.32
MAPT P10636 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
GAA P10253 1/20 0.32
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32
GSR P00390 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 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
SCHEMBL3618691 0.81 NR5A2 (0.38) KDM4ENPSR1ALDH1A1ALOX15HPGD
SCHEMBL3619585 0.79 NR5A2 (0.42) KDM4EKMT2AALDH1A1ALOX15HPGD
SCHEMBL3621214 0.79 GSR (0.54) KDM4EKMT2AALDH1A1ALOX15HPGD
SCHEMBL3621104 0.78 CYP2C19 (0.37) KDM4EKMT2AALDH1A1ALOX15HPGD
SCHEMBL3616927 0.78 ALDH1A1 (0.39) KDM4EMEN1KMT2AALDH1A1ALOX15
SCHEMBL3617344 0.77 NR5A2 (0.49) KDM4ENPSR1ALDH1A1ALOX15HPGD
SCHEMBL3624919 0.74 NR5A2 (0.39) NPSR1NR5A2NR5A1GSRALOX5
SCHEMBL3619703 0.74 NR5A2 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3624485 0.74 NR5A2 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6299373 0.73 ALDH1A1 (0.44) KDM4EMEN1KMT2AALDH1A1ALOX15

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 8 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
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 KDM4E 443/4885MEN1 2773/4885KMT2A 261/4885
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same NPEPPS, PHOSPHO1, LNPEP KDM4E 443/4885MEN1 2773/4885KMT2A 261/4885

“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.