SCHEMBL8067461

SCHEMBL8067461

CC(C)c1cc(C(=O)c2c(F)cccc2I)cc(C(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.55
GABRB1 P18505 3/20 0.55
GABRB2 P47870 2/20 0.42
BCL2 P10415 2/20 0.41
MCL1 Q07820 2/20 0.41
LMNA P02545 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
FAAH O00519 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRG2 P18507 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41

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
SCHEMBL8077321 0.90 GABRA1 (0.63) GABRA1GABRB1GABRB2BCL2MCL1
SCHEMBL8075505 0.81 GABRA1 (0.52) GABRA1GABRB1GABRB2BCL2MCL1
SCHEMBL8077465 0.79 GABRA1 (0.57) GABRA1GABRB1GABRB2BCL2MCL1
SCHEMBL8081974 0.78 GABRA1 (0.56) GABRA1GABRB1GABRB2BCL2MCL1
SCHEMBL8075421 0.78 GABRA1 (0.64) GABRA1GABRB1GABRB2BCL2MCL1
SCHEMBL8067388 0.78 GABRA1 (0.64) GABRA1GABRB1GABRB2BCL2MCL1
SCHEMBL8077296 0.78 GABRA1 (0.69) GABRA1GABRB1GABRB2BCL2MCL1
SCHEMBL8081975 0.75 GABRA1 (0.64) GABRA1GABRB1GABRB2BCL2MCL1
SCHEMBL8082129 0.75 GABRA1 (0.59) GABRA1GABRB1GABRB2BCL2MCL1
SCHEMBL8067455 0.74 GABRA1 (0.51) GABRA1GABRB1GABRB2BCL2MCL1

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 81/4885GABRB2 75/4885
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use CYP3A5, CYP3A4, GABARAP GABRA1 32/4885GABRB1 81/4885GABRB2 75/4885

“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.