SCHEMBL1798326

SCHEMBL1798326

CC(C)c1cccc(CC(F)(F)F)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.55
GABRB2 P47870 4/20 0.55
GABRG2 P18507 2/20 0.55
GABRB3 P28472 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
TSHR P16473 2/20 0.55
FAAH O00519 1/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
GABRB1 P18505 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2C P28335 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
HTR2B P41595 1/20 0.55
GABRA2 P47869 1/20 0.55

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
SCHEMBL4779398 0.91 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3CYP1A2
SCHEMBL13405960 0.85 TSHR (0.49) GABRA1GABRB2GABRG2GABRB3CYP1A2
SCHEMBL1274738 0.84 GABRA1 (0.57) GABRA1GABRB2GABRG2GABRB3CYP1A2
SCHEMBL4776724 0.83 GABRA1 (0.52) GABRA1GABRB2GABRG2GABRB3CYP1A2
SCHEMBL10774893 0.82 GABRA1 (0.55) GABRA1GABRB2GABRG2GABRB3CYP1A2
SCHEMBL15283189 0.82 GABRA1 (0.55) GABRA1GABRB2GABRG2GABRB3CYP1A2
SCHEMBL4459158 0.81 GABRA1 (0.64) GABRA1GABRB2GABRG2GABRB3CYP1A2
SCHEMBL21201602 0.81 GABRA1 (0.40) GABRA1GABRB2GABRG2GABRB3CYP1A2
SCHEMBL3022868 0.80 GABRA1 (0.54) GABRA1GABRB2CA1CA2LMNA
SCHEMBL21734367 0.79 GABRA1 (0.67) GABRA1GABRB2GABRG2GABRB3CYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951979-B2 2,4,6-trisubstituted phenols having anesthetic properties UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2011-05-31 US disclosed
US-20100173997-A1 2,4,6-TRISUBSTITUTED PHENOLS HAVING ANESTHETIC PROPERTIES University of Iowa Research Foundatiion (US) 2010-07-08 US disclosed
US-7705191-B2 Hydrofluoroalkyl phenols having anesthetic properties UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2010-04-27 US disclosed
US-7705191-B2 Hydrofluoroalkyl phenols having anesthetic properties UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2010-04-27 US disclosed
US-7678946-B2 2,4,6,-trisubstituted having anesthetic properties UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2010-03-16 US disclosed
US-20080119566-A1 Hydrofluoroalkyl phenols having anesthetic properties UNIVERSITY OF IOWA RESEARCH FOUNDATION 2008-05-22 US disclosed
US-20080119566-A1 Hydrofluoroalkyl phenols having anesthetic properties UNIVERSITY OF IOWA RESEARCH FOUNDATION 2008-05-22 US disclosed
US-20080114073-A1 2,4,6,-Trisubstituted phenols having anesthetic properties UNIVERSITY OF IOWA RESEARCH FOUNDATION 2008-05-15 US disclosed
WO-2008008492-A2 HYDROFLUOROALKYL PHENOLS HAVING ANESTHETIC PROPERTIES UNIVERSITY OF IOWA RESEARCH FDTN. (US) 2008-01-17 WO disclosed
WO-2008008492-A2 HYDROFLUOROALKYL PHENOLS HAVING ANESTHETIC PROPERTIES UNIVERSITY OF IOWA RESEARCH FDTN. (US) 2008-01-17 WO disclosed
WO-2008008498-A2 2, 4, 6-TRISUBSTITUTED PHENOLS HAVING ANESTHETIC PROPERTIES UNIVERSITY OF IOWA RESEARCH FDTN. (US) 2008-01-17 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 (3 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-20100173997-A1 2,4,6-TRISUBSTITUTED PHENOLS HAVING ANESTHETIC PROPERTIES OPRK1, OPRM1, OPRL1 GABRA1 201/4885GABRB2 101/4885GABRG2 283/4885
US-20080114073-A1 2,4,6,-Trisubstituted phenols having anesthetic properties OPRK1, OPRM1, OPRD1 GABRA1 260/4885GABRB2 119/4885GABRG2 335/4885
US-20080119566-A1 Hydrofluoroalkyl phenols having anesthetic properties OPRL1, VHL, PPARG GABRA1 697/4885GABRB2 721/4885GABRG2 1225/4885

“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.