Propofol

Propofol

SCHEMBL5036811

CC(C)c1cccc(C(C)C)c1O.[NaH].[NaH]

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Propofol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 known ✓ P14867 8/20 0.94
GABRB1 known ✓ P18505 5/20 0.94
GABRB2 known ✓ P47870 4/20 0.94
GABRG2 known ✓ P18507 2/20 0.94
GABRB3 known ✓ P28472 2/20 0.94
GABRA5 known ✓ P31644 1/20 0.94
GABRA3 known ✓ P34903 1/20 0.94
GABRA2 known ✓ P47869 1/20 0.94
GABRA4 known ✓ P48169 1/20 0.94
GABRA6 known ✓ Q16445 1/20 0.94
CA1 P00915 2/20 0.94
CA2 P00918 2/20 0.94
CYP1A2 P05177 2/20 0.94
CYP3A4 P08684 2/20 0.94
LMNA P02545 2/20 0.94
FAAH O00519 1/20 0.94
HPGD P15428 1/20 0.94
TSHR P16473 1/20 0.94
PTGS1 P23219 1/20 0.94
SLC6A2 P23975 1/20 0.94

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
Propofol SCHEMBL4135307 1.00 GABRA1 (0.94) GABRA1GABRB1GABRB2CA1CA2
Propofol SCHEMBL36245 0.97 GABRA1 (1.00) GABRA1GABRB1GABRB2CA1CA2
Propofol SCHEMBL2414429 0.97 GABRA1 (1.00) GABRA1GABRB1GABRB2CA1CA2
Propofol SCHEMBL5087474 0.94 GABRA1 (0.94) GABRA1GABRB1GABRB2CA1CA2
Propofol SCHEMBL1033835 0.94 GABRA1 (0.94) GABRA1GABRB1GABRB2CA1CA2
Propofol SCHEMBL8935177 0.94 GABRA1 (0.94) GABRA1GABRB1GABRB2CA1CA2
Propofol SCHEMBL10968616 0.94 GABRA1 (0.94) GABRA1GABRB1GABRB2CA1CA2
Propofol SCHEMBL8026569 0.94 GABRA1 (0.94) GABRA1GABRB1GABRB2CA1CA2
Propofol SCHEMBL4088686 0.94 GABRA1 (0.94) GABRA1GABRB1GABRB2CA1CA2
Propofol SCHEMBL10968613 0.94 GABRA1 (0.94) GABRA1GABRB1GABRB2CA1CA2

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
CN-101400369-A Novel colored solutions of injectable drugs and pharmaceutically acceptable salts thereof WINCH PETER D (US) 2009-04-01 CN claimed
CN-101367834-B Process for preparing water-soluble phosphonooxymethyl derivatives of alcohols and phenols MGI GP INC 2012-04-18 CN disclosed
CN-101400369-A Novel colored solutions of injectable drugs and pharmaceutically acceptable salts thereof WINCH PETER D (US) 2009-04-01 CN disclosed
CN-101367834-A Process for preparing water-soluble phosphonooxymethyl derivatives of alcohol and phenol MGI GP INC (US) 2009-02-18 CN disclosed
US-20080214508-A1 O-phosphonooxymethyl propofol disodium salt; anasthetic, analgesic, anxiolytic agent, antidepressant; bioavailable and pharmacologically active when given by intravenous, than subcutaneous or rectal administration MGI GP, INC. (US) 2008-09-04 US disclosed
CN-100413508-C Process for preparing water-soluble phosphonooxymethyl derivatives of alcohols and phenols GUILFORD PHARM INC (US) 2008-08-27 CN disclosed
US-20070202158-A1 Methods Of Administering Water-Soluble Prodrugs Of Propofol For Extended Sedation MGI GP, INC. (US) 2007-08-30 US disclosed
CN-1671395-A Process for preparing water-soluble phosphonooxymethyl derivatives of alcohols and phenols GUILFORD PHARM INC (US) 2005-09-21 CN 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-20080214508-A1 O-phosphonooxymethyl propofol disodium salt; anasthetic, analgesic, anxiolytic agent, antidepressant; bioavailable and pharmacologically active when given by intravenous, than subcutaneous or rectal administration SI, APC, OPRK1 GABRA1 791/4885GABRB1 636/4885GABRB2 929/4885
US-20070202158-A1 Methods Of Administering Water-Soluble Prodrugs Of Propofol For Extended Sedation SI, GABRP, ALPI GABRA1 61/4885GABRB1 86/4885GABRB2 100/4885

“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.