SCHEMBL4157986

SCHEMBL4157986

COc1ccc2[nH]c(C)c(OC(C)=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.57
MTNR1A P48039 3/20 0.54
MTNR1B P49286 3/20 0.54
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 5/20 0.53
MAPT P10636 4/20 0.53
HSD17B10 Q99714 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.53
GFER P55789 1/20 0.53
MCL1 Q07820 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HPGD P15428 3/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
HTR1D P28221 2/20 0.49
HTR6 P50406 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL8352133 0.83 KDM4E (0.51) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL4772243 0.82 GAA (0.54) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL11624477 0.82 ALDH1A1 (0.49) AKR1C2MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL9185784 0.81 ALDH1A1 (0.73) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL7344801 0.79 ALDH1A1 (0.67) AKR1C2MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL27533844 0.78 HPGD (0.51) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL8580074 0.78 MTNR1A (0.44) AKR1C2MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL27569322 0.78 KMT2A (0.46) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL11667064 0.76 GSK3B (0.54) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL1434196 0.76 ALDH1A1 (0.67) AKR1C2MTNR1AMTNR1BALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 EP claimed
US-20050004104-A1 Methods for the protection of memory and cognition IRONWOOD PHARMACEUTICALS, INC. 2005-01-06 US claimed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 WO claimed
EP-2882724-B1 COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS THAT ARE AMELIORATED BY INHIBITION OF HDAC IRBM - SCIENCE PARK S P A (IT) 2017-11-01 EP disclosed
US-9371295-B2 Compounds for use in the treatment of disorders that are ameliorated by inhibition of HDAC IRBM-SCIENCE PARK S.P.A. (IT) 2016-06-21 US disclosed
US-20150218112-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS THAT ARE AMELIORATED BY INHIBITION OF HDAC IRBM - SCIENCE PARK S.P.A. (IT) 2015-08-06 US disclosed
EP-2882724-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS THAT ARE AMELIORATED BY INHIBITION OF HDAC IRBM - Science Park S.p.A. (IT) 2015-06-17 EP disclosed
WO-2014023754-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS THAT ARE AMELIORATED BY INHIBITION OF HDAC IRBM - SCIENCE PARK S.P.A. (IT) 2014-02-13 WO disclosed
US-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 US disclosed
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US disclosed
EP-1945609-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-23 EP disclosed
EP-1768955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-04 EP disclosed
WO-2007029036-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
WO-2006005941-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 2006-01-19 WO disclosed
US-5436265-A Analgesics or antipyretics MERCK FROSST CANADA, INC. (CA) 1995-07-25 US disclosed
US-3985878-A N*-2-(1-(P-CHLOROBENZOYL)3-INDOLEACETOXY)-N-3-(N-BENZOYL-N*,N* -DI-N-PROPYL-DL-ISOGLUTAMINOYL)-OXYPROPYL-PIPERAZINE ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1976-10-12 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-20050004104-A1 Methods for the protection of memory and cognition PTGES2, PTGS2, PTGS1 AKR1C2 1928/4885MTNR1A 509/4885MTNR1B 324/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 AKR1C2 266/4885MTNR1A 2310/4885MTNR1B 2685/4885
US-20150218112-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS THAT ARE AMELIORATED BY INHIBITION OF HDAC HDAC5, HDAC4, HDAC6 AKR1C2 612/4885MTNR1A 1876/4885MTNR1B 1543/4885
US-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 AKR1C2 1726/4885MTNR1A 730/4885MTNR1B 901/4885

“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.