SCHEMBL2173983

SCHEMBL2173983

CCOC(=O)C(C(=O)OCC)C(C)(C)Cc1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.47
LDHA P00338 1/20 0.46
EPHX2 P34913 1/20 0.45
MEN1 O00255 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
CCR6 P51684 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CTSK P43235 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 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
SCHEMBL449478 0.83 LMNA (0.43) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL225658 0.82 MAPK1 (0.53) KMT2AEPHX2MEN1TDP1ALDH1A1
SCHEMBL24733330 0.79 MMP8 (0.56) KMT2AGLAGAALDHAMEN1
SCHEMBL13221585 0.79 ALDH1A1 (0.46) KMT2AGLAGAAEPHX2MEN1
SCHEMBL3798352 0.79 KMT2A (0.50) KMT2AGLAGAALDHAMEN1
SCHEMBL7502068 0.79 KMT2A (0.58) KMT2AGLAGAAMEN1HTT
SCHEMBL7128561 0.78 ALDH1A1 (0.50) KMT2AGLAGAALDHAMEN1
SCHEMBL6809494 0.77 KMT2A (0.48) KMT2AGLAGAALDHAMEN1
SCHEMBL13821888 0.77 LDHA (0.53) KMT2AGLAGAALDHAEPHX2
SCHEMBL29256550 0.76 MMP8 (0.52) KMT2AMEN1TDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
EP-1971598-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 US disclosed
WO-2007061670-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP KMT2A 3192/4885GLA 19/4885GAA 37/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP KMT2A 3192/4885GLA 19/4885GAA 37/4885

“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.