SCHEMBL754732

SCHEMBL754732

CCOC(=O)c1ccc(COc2ccc([C@@H](C)[C@@](O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.45
FFAR1 O14842 2/20 0.39
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
TBXAS1 P24557 3/20 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
SCHEMBL480004 1.00 MAOB (0.45) MAOBFFAR1ALDH1A1GAAL3MBTL1
SCHEMBL479933 0.93 MAOB (0.45) MAOBFFAR1ALDH1A1GAAL3MBTL1
SCHEMBL480090 0.92 MAOB (0.49) MAOBFFAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL479802 0.91 RXRA (0.45) FFAR1SMN1; SMN2RXRARXRB
SCHEMBL752896 0.91 RXRA (0.45) FFAR1SMN1; SMN2RXRARXRB
SCHEMBL479814 0.87 FFAR1 (0.42) FFAR1SMN1; SMN2RXRARXRB
SCHEMBL753142 0.87 FFAR1 (0.42) FFAR1SMN1; SMN2RXRARXRB
SCHEMBL479892 0.85 NPC1 (0.45) MAOBFFAR1ALDH1A1SMN1; SMN2
SCHEMBL753140 0.85 NPC1 (0.45) MAOBFFAR1ALDH1A1SMN1; SMN2
SCHEMBL479611 0.85 RXRA (0.44) FFAR1SMN1; SMN2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 881/4885FFAR1 45/4885ALDH1A1 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.