SCHEMBL8077435

SCHEMBL8077435

COc1cc(OC)cc(C(=O)c2cc(C(C)C)c(O)c(C(C)C)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.60
GABRB1 P18505 4/20 0.60
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
GLRA1 P23415 1/20 0.43
GAA P10253 2/20 0.42
GABRB2 P47870 1/20 0.41
KMT2A Q03164 1/20 0.41
BCL2 P10415 2/20 0.41
MCL1 Q07820 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2417164 0.87 GABRA1 (0.66) GABRA1GABRB1CA1CA2GAA
SCHEMBL8077306 0.86 GABRA1 (0.65) GABRA1GABRB1KMT2ABCL2MCL1
SCHEMBL28078271 0.85 GABRA1 (0.78) GABRA1GABRB1CA1CA2GLRA1
SCHEMBL5080340 0.81 CA1 (0.58) GABRA1GABRB1CA1CA2THRA
SCHEMBL1817008 0.81 ALDH1A1 (0.58) GAAKMT2ACES2CES1LMNA
SCHEMBL8082148 0.80 GABRA1 (0.57) GABRA1GABRB1
SCHEMBL8080548 0.79 GABRA1 (0.55) GABRA1GABRB1CA1CA2THRA
SCHEMBL8077209 0.78 CYP1A2 (0.67) GABRA1GABRB1CA1CA2GAA
SCHEMBL8067501 0.77 NPC1 (0.64) GABRA1GABRB1KMT2ABCL2MCL1
SCHEMBL8067518 0.76 GABRA1 (0.59) GABRA1GABRB1CA1CA2GAA

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 81/4885CA1 4305/4885
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use CYP3A5, CYP3A4, GABARAP GABRA1 32/4885GABRB1 81/4885CA1 4305/4885

“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.