SCHEMBL8082149

SCHEMBL8082149

CC(C)c1cc(C(=O)c2cccs2)cc(C(C)C)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.63
PTGS2 P35354 2/20 0.63
ALOX5 P09917 1/20 0.63
GABRA1 P14867 1/20 0.59
GABRB1 P18505 1/20 0.59
HPGDS O60760 1/20 0.53
HPGD P15428 5/20 0.52
CYP2C9 P11712 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CNR2 P34972 6/20 0.50
CNR1 P21554 3/20 0.50
PLA2G1B P04054 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 1/20 0.49

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
Dimethylamine SCHEMBL10428431 0.87 PTGS1 (0.52) PTGS1PTGS2ALOX5GABRA1GABRB1
SCHEMBL10428372 0.85 HPGD (0.54) PTGS1PTGS2ALOX5HPGDSHPGD
Hydrochloric Acid SCHEMBL10428430 0.84 PTGS1 (0.49) PTGS1PTGS2ALOX5GABRA1GABRB1
Diethylamine SCHEMBL10428211 0.83 PTGS1 (0.48) PTGS1PTGS2ALOX5GABRA1GABRB1
Hydrochloric Acid SCHEMBL10428209 0.82 PTGS1 (0.47) PTGS1PTGS2ALOX5GABRA1GABRB1
SCHEMBL10588474 0.80 PTGS1 (0.45) PTGS1PTGS2ALOX5GABRA1GABRB1
Hydrochloric Acid SCHEMBL10428296 0.79 PTGS1 (0.44) PTGS1PTGS2ALOX5GABRA1GABRB1
SCHEMBL9362714 0.78 GAA (0.61) ALDH1A1LMNATDP1NPC1RAB9A
Prifelone SCHEMBL42678 0.78 PTGS1 (1.00) PTGS1PTGS2ALOX5HPGDSHPGD
SCHEMBL28078271 0.77 GABRA1 (0.78) PTGS1GABRA1GABRB1HPGDALDH1A1

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
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-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 PTGS1 891/4885PTGS2 1094/4885ALOX5 1032/4885
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use CYP3A5, CYP3A4, GABARAP PTGS1 891/4885PTGS2 1094/4885ALOX5 1032/4885

“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.