SCHEMBL2417465

SCHEMBL2417465

CC(C)c1cc(C(=O)c2ccc(Cl)cc2)cc(C(C)C)c1O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.70
GABRB1 P18505 2/20 0.70
MAPK1 P28482 1/20 0.53
CNR1 P21554 4/20 0.51
CNR2 P34972 3/20 0.51
SRD5A2 P31213 1/20 0.48
BCL2 P10415 2/20 0.47
MCL1 Q07820 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL8081993 0.86 GABRA1 (0.64) GABRA1GABRB1CNR1CNR2BCL2
SCHEMBL28078271 0.85 GABRA1 (0.78) GABRA1GABRB1BCL2MCL1HPGD
SCHEMBL8077322 0.84 GABRA1 (0.72) GABRA1GABRB1CNR1CNR2SRD5A2
SCHEMBL8075582 0.84 GABRA1 (0.72) GABRA1GABRB1CNR1CNR2BCL2
SCHEMBL2410206 0.83 GABRA1 (0.70) GABRA1GABRB1MAPK1CNR1CNR2
SCHEMBL2413335 0.83 GABRA1 (0.70) GABRA1GABRB1CNR1CNR2BCL2
SCHEMBL8075584 0.83 GABRA1 (0.70) GABRA1GABRB1CNR1CNR2BCL2
SCHEMBL2416215 0.83 GABRA1 (0.70) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL29405385 0.82 GABRA1 (1.00) GABRA1GABRB1MAPK1SRD5A2BCL2
SCHEMBL8081937 0.82 GABRA1 (0.69) GABRA1GABRB1CNR2BCL2MCL1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520290-B1 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE LLC (US) 2014-12-10 EP claimed
US-8026275-B2 Compositions, methods of use and preparation of 2,6-diisopropyl phenol and analogs for ischemic injury ABRAXIS BIOSCIENCE, LLC (US) 2011-09-27 US claimed
US-20100160448-A1 COMPOSITIONS, METHODS OF USE AND PREPARATION OF 2,6-DIISOPROPYL PHENOL AND ANALOGS FOR ISCHEMIC INJURY ABRAXIS BIOSCIENCE, INC. (US) 2010-06-24 US claimed
CN-101184481-A Compositions of 2, 6-diisopropylphenol and analogs for ischemic injury, methods of use and preparation thereof AMERICAN BIOSCIENCE INC (US) 2008-05-21 CN claimed
EP-1853240-A2 COMPOSITIONS, METHODS OF USE AND PREPARATION OF 2,6-DIISOPROPYL PHENOL AND ANALOGS FOR ISCHEMIC INJURY Abraxis BioScience, Inc. (US) 2007-11-14 EP claimed
WO-2006089120-A2 COMPOSITIONS, METHODS OF USE AND PREPARATION OF 2,6-DIISOPROPYL PHENOL AND ANALOGS FOR ISCHEMIC INJURY ABRAXIS BIOSCIENCE, INC (US) 2006-08-24 WO claimed
EP-2520290-B1 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE LLC (US) 2014-12-10 EP disclosed
EP-2520290-B1 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE LLC (US) 2014-12-10 EP disclosed
EP-2520290-A1 Propofol analogs, process for their preparation, and methods of use Abraxis BioScience, LLC (US) 2012-11-07 EP disclosed
EP-2520290-A1 Propofol analogs, process for their preparation, and methods of use Abraxis BioScience, LLC (US) 2012-11-07 EP disclosed
US-8026275-B2 Compositions, methods of use and preparation of 2,6-diisopropyl phenol and analogs for ischemic injury ABRAXIS BIOSCIENCE, LLC (US) 2011-09-27 US disclosed
US-20100160448-A1 COMPOSITIONS, METHODS OF USE AND PREPARATION OF 2,6-DIISOPROPYL PHENOL AND ANALOGS FOR ISCHEMIC INJURY ABRAXIS BIOSCIENCE, INC. (US) 2010-06-24 US disclosed
US-7586008-B2 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE, INC. (US) 2009-09-08 US disclosed
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE, INC. (US) 2007-08-09 US disclosed
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE, INC. (US) 2007-08-09 US disclosed
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE, INC. (US) 2007-08-09 US disclosed
EP-1704135-A1 PROPOFOL ANALOGS, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE Abraxis Bioscience, Inc. (US) 2006-09-27 EP disclosed
WO-2006089120-A2 COMPOSITIONS, METHODS OF USE AND PREPARATION OF 2,6-DIISOPROPYL PHENOL AND ANALOGS FOR ISCHEMIC INJURY ABRAXIS BIOSCIENCE, INC (US) 2006-08-24 WO disclosed
WO-2005063665-A1 PROPOFOL ANALOGS, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE ABRAXIS BIOSCIENCE, INC (US) 2005-07-14 WO disclosed
WO-2005063665-A1 PROPOFOL ANALOGS, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE ABRAXIS BIOSCIENCE, INC (US) 2005-07-14 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-20100160448-A1 COMPOSITIONS, METHODS OF USE AND PREPARATION OF 2,6-DIISOPROPYL PHENOL AND ANALOGS FOR ISCHEMIC INJURY FABP7, QSOX1, DDO GABRA1 2910/4885GABRB1 2235/4885MAPK1 2829/4885
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use CYP3A5, CYP3A4, GABARAP GABRA1 32/4885GABRB1 81/4885MAPK1 4331/4885

“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.