SCHEMBL8077569

SCHEMBL8077569

CC(C)c1cc(C(=O)c2ccco2)cc(C(C)C)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
POLB P06746 1/20 0.64
THRB P10828 1/20 0.64
APEX1 P27695 1/20 0.64
RECQL P46063 1/20 0.64
GABRA1 P14867 2/20 0.59
GABRB1 P18505 2/20 0.59
MAPT P10636 3/20 0.48
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
RAB9A P51151 2/20 0.42
PAX8 Q06710 1/20 0.42

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
SCHEMBL15354269 0.79 ALDH1A1 (1.00) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL29377294 0.79 KMT2A (0.70) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL30977784 0.78 KMT2A (0.75) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL28078271 0.77 GABRA1 (0.78) ALDH1A1GABRA1GABRB1BCL2MCL1
SCHEMBL11067689 0.75 KMT2A (0.64) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL29405385 0.75 GABRA1 (1.00) KMT2AALDH1A1TDP1RECQLGABRA1
SCHEMBL8077084 0.74 GABRA1 (0.63) KMT2AALDH1A1MEN1GABRA1GABRB1
SCHEMBL29029980 0.73 KMT2A (0.85) KMT2AALDH1A1MEN1TDP1POLB
SCHEMBL8067378 0.72 GABRA1 (0.63) RECQLGABRA1GABRB1MAPTBCL2
SCHEMBL16713271 0.71 KMT2A (0.75) KMT2AALDH1A1MEN1TDP1POLB

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 KMT2A 562/4885ALDH1A1 2122/4885MEN1 4556/4885
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use CYP3A5, CYP3A4, GABARAP KMT2A 562/4885ALDH1A1 2122/4885MEN1 4556/4885

“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.