SCHEMBL13233261

SCHEMBL13233261

CC(C)(C)CCC(=O)Nc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.61
TRPV1 Q8NER1 3/20 0.51
GAA P10253 5/20 0.50
MAPT P10636 5/20 0.50
TP53 P04637 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
PSMB11 A5LHX3 2/20 0.50
PSMA7 O14818 2/20 0.50
PSMB1 P20618 2/20 0.50
PSMA1 P25786 2/20 0.50
PSMA2 P25787 2/20 0.50
PSMA3 P25788 2/20 0.50
PSMA4 P25789 2/20 0.50
PSMB8 P28062 2/20 0.50
PSMB9 P28065 2/20 0.50
PSMA5 P28066 2/20 0.50
PSMB4 P28070 2/20 0.50
PSMB6 P28072 2/20 0.50
PSMB5 P28074 2/20 0.50
PSMB10 P40306 2/20 0.50

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
SCHEMBL22667768 0.93 TP53 (0.55) CYP1A1GAAMAPTTP53L3MBTL1
SCHEMBL9123188 0.86 POLB (0.64) GAATP53MEN1ALDH1A1KMT2A
SCHEMBL24590187 0.86 HDAC3 (0.58) GAAMAPTTP53MEN1ALDH1A1
SCHEMBL12926858 0.84 NPC1 (0.56) TRPV1MAPTMEN1KMT2ANR1H4
SCHEMBL9157833 0.84 MAPT (0.60) GAAMAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL24590189 0.83 EPHX2 (0.58) TRPV1L3MBTL1MEN1ALDH1A1CYP3A4
SCHEMBL27937384 0.82 CYP1A1 (0.84) CYP1A1TRPV1GAAMAPTTP53
SCHEMBL5649258 0.81 RAB9A (0.67) CYP1A1TRPV1GAAMAPTTP53
SCHEMBL18997650 0.81 RAB9A (0.60) GAAMAPTTP53MEN1ALDH1A1
SCHEMBL1948604 0.81 LMNA (0.47) GAAMAPTTP53L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US 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 (1 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-20080280899-A1 Inhibitors of Akt Activity AKT1, AKT2, AKT3 CYP1A1 4324/4885TRPV1 4224/4885GAA 1588/4885

“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.