SCHEMBL733027

SCHEMBL733027

CCOC(=O)COc1ccc(Oc2ccc(C(C)C(O)(c3ccc(=O)n(C)c3)C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ADORA2A P29274 3/20 0.35
ADORA2B P29275 3/20 0.35
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 2/20 0.34
IDH1 O75874 1/20 0.34
BRD4 O60885 1/20 0.34
TBXAS1 P24557 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
PTPN1 P18031 1/20 0.33
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
FFAR1 O14842 1/20 0.32
PLA2G7 Q13093 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL754452 1.00 MAPT (0.35) MAPTLMNAPOLBADORA2AADORA2B
SCHEMBL754455 0.92 PPOX (0.37) MAPTLMNAADORA2AADORA2BNPSR1
SCHEMBL733146 0.92 PPOX (0.37) MAPTLMNAADORA2AADORA2BNPSR1
SCHEMBL752276 0.91 SMN1; SMN2 (0.36) MAPTMCL1FFAR1
SCHEMBL734371 0.91 SMN1; SMN2 (0.36) MAPTMCL1FFAR1
SCHEMBL753038 0.85 PTGER4 (0.38) POLBALDH1A1FFAR1HSD17B10
SCHEMBL734434 0.85 PTGER4 (0.38) POLBALDH1A1FFAR1HSD17B10
SCHEMBL754451 0.84 SMN1; SMN2 (0.40) LMNABRD4FFAR1
SCHEMBL734576 0.84 SMN1; SMN2 (0.40) LMNABRD4FFAR1
SCHEMBL753268 0.83 LMNA (0.37) MAPTLMNAPOLBALDH1A1

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 claimed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US 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 MAPT 2644/4885LMNA 1995/4885POLB 3224/4885

“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.