SCHEMBL752268

SCHEMBL752268

COC(=O)Cc1ccc(COc2ccc([C@H](C)[C@](O)(c3cnc4ccccc4c3)C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 7/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CYP26A1 O43174 1/20 0.36
CYP3A4 P08684 1/20 0.36
CNR2 P34972 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ALOX5 P09917 2/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL480022 1.00 LMNA (0.45) LMNANPC1ALDH1A1RAB9AMAOB
SCHEMBL480148 0.94 MAOB (0.43) LMNANPC1ALDH1A1RAB9AMAOB
SCHEMBL479859 0.92 SMN1; SMN2 (0.42) MAOBNR1H2NR1H3ALOX5FFAR1
SCHEMBL754449 0.92 SMN1; SMN2 (0.42) MAOBNR1H2NR1H3ALOX5FFAR1
SCHEMBL753262 0.90 MAOB (0.42) MAOBFFAR1
SCHEMBL480026 0.90 MAOB (0.42) MAOBFFAR1
SCHEMBL479745 0.87 MAOB (0.51) NPC1ALDH1A1RAB9AMAOB
SCHEMBL753250 0.87 MAOB (0.51) NPC1ALDH1A1RAB9AMAOB
SCHEMBL480680 0.86 MAOB (0.36) LMNAMAOBCNR2ALOX5FFAR1
SCHEMBL754887 0.86 MAOB (0.36) LMNAMAOBCNR2ALOX5FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 LMNA 1995/4885NPC1 524/4885ALDH1A1 317/4885

“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.