SCHEMBL4628014

SCHEMBL4628014

CN(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 13/20 1.00
NR1H2 P55055 11/20 1.00
MLYCD O95822 6/20 0.62
RORC P51449 1/20 0.59

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
SCHEMBL4417331 0.83 NR1H2 (0.71) NR1H3NR1H2
SCHEMBL1382028 0.82 NR1H2 (1.00) NR1H3NR1H2MLYCDRORC
SCHEMBL11881187 0.79 NR1H2 (0.62) NR1H3NR1H2
SCHEMBL2080647 0.79 NR1H3 (1.00) NR1H3NR1H2MLYCDRORC
SCHEMBL4629232 0.77 NR1H2 (1.00) NR1H3NR1H2MLYCD
SCHEMBL28281535 0.77 NR1H2 (0.62) NR1H3NR1H2
SCHEMBL2945131 0.77 MLYCD (1.00) NR1H3NR1H2MLYCDRORC
SCHEMBL18596506 0.76 NR1H3 (0.61) NR1H3NR1H2MLYCD
SCHEMBL6493549 0.76 MLYCD (0.63) NR1H3NR1H2MLYCD
SCHEMBL6493890 0.76 NR1H3 (0.60) NR1H3NR1H2MLYCDRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014148438-A1 THERAPEUTIC AGENT FOR HEPATITIS C WHICH COMPRISES 4-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)BENZENE DERIVATIVE 国立大学法人岡山大学 (JP) 2014-09-25 WO disclosed
EP-1917233-B1 ANILINOHEXAFLUOROISOPROPANOL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
EP-1917233-B1 ANILINOHEXAFLUOROISOPROPANOL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
US-20080221176-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-11 US disclosed
US-20080221176-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-11 US disclosed
US-20080221176-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-11 US disclosed
EP-1917233-A1 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-05-07 EP disclosed
WO-2007024954-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-01 WO disclosed
WO-2007024954-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-01 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 (1 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-20080221176-A1 Chemical Compounds NR1H3, NR1H2, NR1H4 NR1H3 1/4885NR1H2 2/4885MLYCD 1065/4885

“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.