SCHEMBL8077209

SCHEMBL8077209

COc1ccc(C(=O)c2cc(C(C)C)c(O)c(C(C)C)c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.67
CYP2C19 P33261 1/20 0.67
ALDH1A1 P00352 3/20 0.58
GABRA1 P14867 1/20 0.58
GABRB1 P18505 1/20 0.58
GAA P10253 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
TUBB4A P04350 3/20 0.54
TUBB P07437 3/20 0.54
TUBA3C P0DPH7 3/20 0.54
TUBA1B P68363 3/20 0.54
TUBA4A P68366 3/20 0.54
TUBB4B P68371 3/20 0.54
TUBB3 Q13509 3/20 0.54
TUBB2A Q13885 3/20 0.54
TUBB8 Q3ZCM7 3/20 0.54

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
SCHEMBL8082148 0.84 GABRA1 (0.57) GABRA1GABRB1TUBB4ATUBBTUBA3C
SCHEMBL1493250 0.82 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL2417164 0.81 GABRA1 (0.66) ALDH1A1GABRA1GABRB1GAATUBB4A
SCHEMBL8067518 0.80 GABRA1 (0.59) CYP1A2CYP3A4TSHRALDH1A1GABRA1
SCHEMBL9364577 0.80 CYP1A2 (0.96) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL28078271 0.80 GABRA1 (0.78) CYP1A2CYP3A4TSHRALDH1A1GABRA1
SCHEMBL4058136 0.78 CYP3A4 (0.57) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8077077 0.78 GABRA1 (0.60) CYP3A4ALDH1A1GABRA1GABRB1GAA
SCHEMBL8077306 0.78 GABRA1 (0.65) ALDH1A1GABRA1GABRB1MAPTMAPK1
SCHEMBL8075584 0.78 GABRA1 (0.70) ALDH1A1GABRA1GABRB1GAAPTGS1

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-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-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 CYP1A2 35/4885CYP3A4 2/4885CYP2C9 28/4885
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use CYP3A5, CYP3A4, GABARAP CYP1A2 35/4885CYP3A4 2/4885CYP2C9 28/4885

“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.