SCHEMBL754898

SCHEMBL754898

CCOC(=O)c1ccc(COc2ccc([C@H](C)[C@](O)(c3cccc4cnccc34)C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.42
MRGPRX4 Q96LA9 1/20 0.37
TRPV1 Q8NER1 7/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NMT1 P30419 1/20 0.36
NR1H2 P55055 2/20 0.35
FFAR1 O14842 1/20 0.35
SLC2A1 P11166 1/20 0.35
NR1H3 Q13133 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL479608 1.00 MAOB (0.42) MAOBMRGPRX4TRPV1NPC1RAB9A
SCHEMBL753267 0.92 MRGPRX4 (0.42) MRGPRX4TRPV1NR1H2FFAR1NR1H3
SCHEMBL480023 0.92 MRGPRX4 (0.42) MRGPRX4TRPV1NR1H2FFAR1NR1H3
SCHEMBL755581 0.89 PPARD (0.41) MRGPRX4TRPV1NR1H2FFAR1NR1H3
SCHEMBL480008 0.89 PPARD (0.41) MRGPRX4TRPV1NR1H2FFAR1NR1H3
SCHEMBL480162 0.87 LMNA (0.41) MAOBMRGPRX4TRPV1NPC1RAB9A
SCHEMBL480090 0.85 MAOB (0.49) MAOBFFAR1SLC2A1MAPTSMN1; SMN2
SCHEMBL479745 0.81 MAOB (0.51) MAOBNPC1RAB9ANMT1MAPT
SCHEMBL753250 0.81 MAOB (0.51) MAOBNPC1RAB9ANMT1MAPT
SCHEMBL734642 0.80 ALDH1A1 (0.37) TRPV1MAPTSMN1; SMN2

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 MAOB 881/4885MRGPRX4 284/4885TRPV1 1406/4885

“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.