SCHEMBL8077372

SCHEMBL8077372

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.66
GABRB1 P18505 2/20 0.66
BCL2 P10415 2/20 0.45
MCL1 Q07820 2/20 0.45
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 1/20 0.44
GAA P10253 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GSR P00390 1/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
GLRA1 P23415 1/20 0.41
ERN1 O75460 2/20 0.40
PDK2 Q15119 1/20 0.39

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
SCHEMBL8075570 0.84 GABRA1 (0.66) GABRA1GABRB1BCL2MCL1HSP90AA1
SCHEMBL28078271 0.82 GABRA1 (0.78) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL8075582 0.81 GABRA1 (0.72) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL8077322 0.81 GABRA1 (0.72) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL13639491 0.80 GABRA1 (0.42) GABRA1GABRB1BCL2MCL1HSP90AA1
SCHEMBL8075584 0.80 GABRA1 (0.70) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL2416215 0.80 GABRA1 (0.70) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL2413335 0.80 GABRA1 (0.70) GABRA1GABRB1BCL2MCL1HSP90AA1
SCHEMBL2417465 0.80 GABRA1 (0.70) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL2410206 0.80 GABRA1 (0.70) GABRA1GABRB1BCL2MCL1GAA

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 8 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
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 81/4885BCL2 4801/4885
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use CYP3A5, CYP3A4, GABARAP GABRA1 32/4885GABRB1 81/4885BCL2 4801/4885

“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.