SCHEMBL10161071

SCHEMBL10161071

CC(C)C(=O)c1coc(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
DBH P09172 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 3/20 0.35
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
NR4A2 P43354 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PTGER4 P35408 1/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
APEX1 P27695 2/20 0.33
KMT2A Q03164 1/20 0.32
HTR1B P28222 2/20 0.31
ACE2 Q9BYF1 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL10161056 0.83 KDM4E (0.39) KDM4EDBHGAARECQLFFAR1
SCHEMBL10161064 0.80 CHRM2 (0.38) KDM4EDBHGAARECQLFFAR1
SCHEMBL26907933 0.79 NR4A2 (0.43) KDM4EGAAALDH1A1NR4A2HCAR2
SCHEMBL69933 0.79 NR4A2 (0.43) KDM4EGAAALDH1A1NR4A2HCAR2
Hydrochloric Acid SCHEMBL28355104 0.77 NR4A2 (0.42) KDM4EGAAALDH1A1NR4A2HCAR2
Ethylene SCHEMBL22371863 0.75 NR4A2 (0.41) KDM4EGAAALDH1A1NR4A2HCAR2
Butane SCHEMBL3016092 0.74 NR4A2 (0.41) ALDH1A1NR4A2HCAR2PTGER4KMT2A
SCHEMBL10328545 0.73 FABP3 (0.41) KDM4EALDH1A1FABP3FABP4HCAR2
SCHEMBL12261476 0.72 FABP3 (0.44) KDM4EALDH1A1FABP3FABP4HCAR2
SCHEMBL23476588 0.70 KDM4E (0.48) KDM4EDBHGAARECQLFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 KDM4E 2058/4885DBH 2340/4885GAA 352/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 KDM4E 2058/4885DBH 2340/4885GAA 352/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KDM4E 2058/4885DBH 2340/4885GAA 352/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KDM4E 2058/4885DBH 2340/4885GAA 352/4885

“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.