SCHEMBL9969397

SCHEMBL9969397

CC(=O)c1cccc(OCCC(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.57
MAOA P21397 3/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 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
SCHEMBL22837003 0.88 KMT2A (0.53) MAOBKMT2ASMN1; SMN2
SCHEMBL5974513 0.87 MAOB (0.68) MAOBMAOAKMT2AMEN1SMN1; SMN2
SCHEMBL12250956 0.84 MAOB (0.60) MAOBMAOAKMT2AMEN1SMN1; SMN2
SCHEMBL4315663 0.82 MAOB (0.62) MAOBMAOAKMT2AMEN1SMN1; SMN2
SCHEMBL1436064 0.82 KMT2A (0.76) MAOBMAOAKMT2AMEN1SMN1; SMN2
SCHEMBL5099859 0.81 MAPK1 (0.46) MAOBKMT2A
SCHEMBL1436453 0.81 MAOB (0.60) MAOBMAOAKMT2AMEN1SMN1; SMN2
SCHEMBL15568678 0.81 MAOB (0.60) MAOBMAOAKMT2AMEN1SMN1; SMN2
SCHEMBL1436145 0.81 THRB (0.65) MAOBMAOAKMT2AMEN1SMN1; SMN2
SCHEMBL1545031 0.81 MAOB (0.60) MAOBMAOAKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MAOB 1091/4885MAOA 2199/4885KMT2A 4556/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MAOB 1091/4885MAOA 2199/4885KMT2A 4556/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC MAOB 2352/4885MAOA 2317/4885KMT2A 4703/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 MAOB 1091/4885MAOA 2199/4885KMT2A 4556/4885

“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.