SCHEMBL4629596

SCHEMBL4629596

CCCCN(Cc1cc(Cl)ccc1O)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
NR1H2 P55055 19/20 1.00
NR1H3 Q13133 19/20 1.00
NR1I2 O75469 1/20 0.67
MLYCD O95822 1/20 0.49

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
SCHEMBL4628002 0.87 NR1H2 (1.00) NR1H2NR1H3NR1I2MLYCD
SCHEMBL14066992 0.86 NR1H2 (0.82) NR1H2NR1H3NR1I2MLYCD
SCHEMBL4629561 0.85 NR1H2 (1.00) NR1H2NR1H3NR1I2MLYCD
SCHEMBL4660226 0.84 NR1H2 (1.00) NR1H2NR1H3NR1I2MLYCD
SCHEMBL4628900 0.83 NR1H2 (1.00) NR1H2NR1H3NR1I2
SCHEMBL14066971 0.83 NR1H2 (0.86) NR1H2NR1H3NR1I2MLYCD
SCHEMBL4628891 0.82 NR1H2 (1.00) NR1H2NR1H3NR1I2
SCHEMBL4629551 0.81 NR1H2 (1.00) NR1H2NR1H3NR1I2
SCHEMBL4629013 0.80 NR1H2 (1.00) NR1H2NR1H3NR1I2MLYCD
SCHEMBL14066989 0.79 NR1H2 (0.87) NR1H2NR1H3NR1I2

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-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 NR1H2 2/4885NR1H3 1/4885NR1I2 19/4885

“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.