SCHEMBL4713540

SCHEMBL4713540

CC(C)c1cc(O)cc(C(C)C)c1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.52
GABRB1 P18505 4/20 0.52
GABRB2 P47870 4/20 0.52
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
LMNA P02545 3/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2B P41595 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
FAAH O00519 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRG2 P18507 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2C P28335 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 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
SCHEMBL1760529 0.78 CA1 (0.70) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL4907457 0.78 GABRA1 (0.50) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL20816450 0.76 GABRA1 (0.50) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL3435343 0.76 CA1 (0.46) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL4714238 0.74 GABRA1 (0.52) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL4715891 0.74 CA1 (0.44) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL6282235 0.74 CA1 (0.44) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL21251576 0.74 CA1 (0.44) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL4712954 0.74 GABRA1 (0.52) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL10951011 0.74 CA1 (0.44) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160095823-A1 METHODS OF USING PROPOFOL DERIVATIVES FOR ANALGESIA THE UNIVERSITY OF LIVERPOOL (GB) 2016-04-07 US claimed
US-20070142477-A1 ANALGESIA THE UNIVERSITY OF LIVERPOOL (GB) 2007-06-21 US claimed
EP-1965780-B1 Propofol derivatives as analgesics UNIV LIVERPOOL (GB) 2017-03-08 EP disclosed
US-20160095823-A1 METHODS OF USING PROPOFOL DERIVATIVES FOR ANALGESIA THE UNIVERSITY OF LIVERPOOL (GB) 2016-04-07 US disclosed
EP-1965780-A2 SUBSTITUTED PHENOL DERIVATIVES AS ANALGESICS THE UNIVERSITY OF LIVERPOOL (GB) 2008-09-10 EP disclosed
WO-2007071967-A2 SUBSTITUTED PHENOL DERIVATIVES AS ANALGESICS THE UNIVERSITY OF LIVERPOOL (GB) 2007-06-28 WO disclosed
US-20070142477-A1 ANALGESIA THE UNIVERSITY OF LIVERPOOL (GB) 2007-06-21 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-20160095823-A1 METHODS OF USING PROPOFOL DERIVATIVES FOR ANALGESIA GRIN3A, OPRL1, GRIK5 GABRA1 9/4885GABRB1 29/4885GABRB2 27/4885
US-20070142477-A1 ANALGESIA GRIN3A, OPRL1, GABRA5 GABRA1 6/4885GABRB1 32/4885GABRB2 31/4885

“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.