SCHEMBL8077296

SCHEMBL8077296

CC(C)c1cc(C(=O)c2cccc(F)c2)cc(C(C)C)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.69
GABRB1 P18505 2/20 0.69
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
BCL2 P10415 1/20 0.48
MCL1 Q07820 1/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
PARP1 P09874 1/20 0.46
SLC6A2 P23975 2/20 0.44
PTGS1 P23219 2/20 0.44
FAAH O00519 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GABRG2 P18507 1/20 0.44

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
SCHEMBL8081975 0.85 GABRA1 (0.64) GABRA1GABRB1CES2CES1BCL2
SCHEMBL8077321 0.84 GABRA1 (0.63) GABRA1GABRB1CES2CES1BCL2
SCHEMBL8286757 0.83 GABRA1 (0.71) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL2416215 0.82 GABRA1 (0.70) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL29405385 0.82 GABRA1 (1.00) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL8080419 0.81 GABRA1 (0.69) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL8081937 0.81 GABRA1 (0.69) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL13639493 0.81 GABRA1 (0.69) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL28078271 0.81 GABRA1 (0.78) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL2410843 0.81 GABRA1 (0.63) GABRA1GABRB1CES2BCL2MCL1

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 9 patents. 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 disclosed
EP-2520290-A1 Propofol analogs, process for their preparation, and methods of use Abraxis BioScience, LLC (US) 2012-11-07 EP disclosed
US-7586008-B2 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE, INC. (US) 2009-09-08 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-20080275100-A1 PROPOFOL ANALOGS, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE ABRAXIS BIOSCIENCE, INC. (US) 2008-11-06 US disclosed
US-20080275100-A1 PROPOFOL ANALOGS, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE ABRAXIS BIOSCIENCE, INC. (US) 2008-11-06 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
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-20080275100-A1 PROPOFOL ANALOGS, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE CYP3A5, CYP3A4, GABARAP GABRA1 32/4885GABRB1 81/4885CES2 479/4885
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use CYP3A5, CYP3A4, GABARAP GABRA1 32/4885GABRB1 81/4885CES2 479/4885

“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.