SCHEMBL864323

SCHEMBL864323

CCC(=O)c1ccc(OCCOC)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
GAA P10253 2/20 0.55
PLK1 P53350 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
THRA P10827 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
SCHEMBL17129733 0.93 L3MBTL1 (0.62) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL28532355 0.87 THRA (0.47) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5279835 0.86 PKM (0.68) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL20278587 0.85 GAA (0.67) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL8172219 0.85 L3MBTL1 (0.74) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL10040898 0.85 L3MBTL1 (0.69) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL2953290 0.84 GSK3B (0.66) MAPTRAB9AL3MBTL1GAAPLK1
SCHEMBL6654032 0.84 MAPT (0.58) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL14574019 0.84 NR1I2 (0.68) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL13108708 0.83 MAPT (0.63) MAPTRAB9ANPC1HPGDL3MBTL1

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
EP-2619184-B1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2018-05-23 EP disclosed
EP-2619184-B1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2018-05-23 EP disclosed
US-20140357673-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UNIV MICHIGAN (US) 2014-12-04 US disclosed
US-20140357673-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UNIV MICHIGAN (US) 2014-12-04 US disclosed
US-20140357673-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UNIV MICHIGAN (US) 2014-12-04 US disclosed
US-8809377-B2 Deubiquitinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-08-19 US disclosed
US-8809377-B2 Deubiquitinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-08-19 US disclosed
US-8809377-B2 Deubiquitinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-08-19 US disclosed
US-20120077806-A1 Deubiquitinase Inhibitors and Methods for Use of the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 US disclosed
US-20120077806-A1 Deubiquitinase Inhibitors and Methods for Use of the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 US disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed
US-20120077806-A1 Deubiquitinase Inhibitors and Methods for Use of the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 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 (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-20140357673-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UCHL1, USP2, USP1 MAPT 349/4885RAB9A 1042/4885SMN1; SMN2 203/4885
US-20120077806-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UCHL1, USP2, USP1 MAPT 349/4885RAB9A 1042/4885SMN1; SMN2 203/4885

“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.