SCHEMBL8080419

SCHEMBL8080419

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.69
GABRB1 P18505 3/20 0.69
BCL2 P10415 1/20 0.48
MCL1 Q07820 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
PARP1 P09874 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CTSL P07711 2/20 0.45
ALDH1A1 P00352 2/20 0.44
SLC6A2 P23975 2/20 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
SCHEMBL8286757 0.83 GABRA1 (0.71) GABRA1GABRB1BCL2MCL1SMN1; SMN2
SCHEMBL2410206 0.82 GABRA1 (0.70) GABRA1GABRB1BCL2MCL1RAB9A
SCHEMBL29405385 0.82 GABRA1 (1.00) GABRA1GABRB1BCL2MCL1RAB9A
SCHEMBL13639493 0.81 GABRA1 (0.69) GABRA1GABRB1BCL2MCL1SMN1; SMN2
SCHEMBL8081937 0.81 GABRA1 (0.69) GABRA1GABRB1BCL2MCL1NPC1
SCHEMBL8077296 0.81 GABRA1 (0.69) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL28078271 0.81 GABRA1 (0.78) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL8081939 0.80 GABRA1 (0.61) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL30153175 0.79 PARP1 (0.68) NPC1RAB9ASMN1; SMN2GAAHTT
SCHEMBL241785 0.79 PARP1 (0.68) NPC1RAB9ASMN1; SMN2GAAHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.