Sugi Predict

Sugi Predict / Compounds / SCHEMBL8080592

SCHEMBL8080592

SCHEMBL8080592

CC(C)c1cc(C(=O)c2ccccc2COC(=O)c2ccccc2)cc(C(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.58
▸ GABRB1 P18505 1/20 0.58
▸ BCL2 P10415 2/20 0.51
▸ MCL1 Q07820 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ PPARG P37231 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL8075433 0.82 GABRA1 (0.62) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL13145169 0.79 PPARG (0.56) L3MBTL1PPARGLMNASLC6A2SLC6A3
SCHEMBL7535085 0.78 TDP1 (0.58) GABRA1GABRB1L3MBTL1LMNAGAA
SCHEMBL14519865 0.77 PPARG (0.55) L3MBTL1PPARGLMNASLC6A2SLC6A3
SCHEMBL11758041 0.76 GABRA1 (0.71) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL29405385 0.75 GABRA1 (1.00) GABRA1GABRB1BCL2MCL1L3MBTL1
SCHEMBL14544525 0.74 PPARG (0.58) L3MBTL1PPARGLMNAHTTSLC6A2
SCHEMBL11326985 0.74 GABRA1 (0.68) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL5860477 0.74 PPARG (0.61) L3MBTL1PPARGLMNAHTTSLC6A2
SCHEMBL8077329 0.73 GABRA1 (0.66) GABRA1GABRB1BCL2MCL1LMNA

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 4 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-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

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.