SCHEMBL3620240

SCHEMBL3620240

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPT P10636 4/20 0.41
ALOX15 P16050 3/20 0.41
CYP1A2 P05177 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATP2A2 P16615 1/20 0.41
ATP2A3 Q93084 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
ERN1 O75460 1/20 0.37
CYP3A4 P08684 3/20 0.36
TSHR P16473 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL10021816 0.86 GABRA1 (0.37) ALDH1A1MAPTALOX15CYP1A2SMN1; SMN2
SCHEMBL10626267 0.81 ALDH1A1 (0.41) ALDH1A1MAPTALOX15SMN1; SMN2KDM4E
SCHEMBL28456767 0.81 ALDH1A1 (0.52) ALDH1A1MAPTALOX15CYP1A2SMN1; SMN2
SCHEMBL8950048 0.78 SMN1; SMN2 (0.49) ALDH1A1MAPTALOX15CYP1A2SMN1; SMN2
SCHEMBL1252920 0.75 ALDH1A1 (0.45) ALDH1A1MAPTALOX15CYP1A2SMN1; SMN2
SCHEMBL28469471 0.74 ALDH1A1 (0.46) ALDH1A1MAPTALOX15CYP1A2SMN1; SMN2
SCHEMBL29467330 0.73 ALOX5 (0.49) ALDH1A1MAPTCYP1A2SMN1; SMN2KDM4E
SCHEMBL29467329 0.73 ALOX5 (0.49) ALDH1A1MAPTCYP1A2SMN1; SMN2KDM4E
SCHEMBL679035 0.73 CES2 (0.39) ALDH1A1MAPTKDM4EERN1CYP3A4
SCHEMBL187267 0.73 ALOX5 (0.49) ALDH1A1MAPTCYP1A2SMN1; SMN2KDM4E

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
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 ALDH1A1 1120/4885MAPT 2069/4885ALOX15 1248/4885
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same NPEPPS, PHOSPHO1, LNPEP ALDH1A1 1120/4885MAPT 2069/4885ALOX15 1248/4885

“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.