SCHEMBL754887

SCHEMBL754887

COC(=O)C1(c2ccc(COc3ccc([C@H](C)[C@](O)(c4cnc5ccccc5c4)C(F)(F)F)c(Cl)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.36
ADAM17 P78536 3/20 0.34
FFAR1 O14842 1/20 0.34
CNR2 P34972 1/20 0.34
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
ALOX5AP P20292 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 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
SCHEMBL480680 1.00 MAOB (0.36) MAOBADAM17FFAR1CNR2ITGA4
SCHEMBL480201 0.93 AKR1C3 (0.39) MAOBFFAR1ALOX5ALOX5APAKR1C3
SCHEMBL753263 0.93 AKR1C3 (0.39) MAOBFFAR1ALOX5ALOX5APAKR1C3
SCHEMBL752268 0.86 LMNA (0.45) MAOBFFAR1CNR2LMNAALOX5
SCHEMBL480022 0.86 LMNA (0.45) MAOBFFAR1CNR2LMNAALOX5
SCHEMBL480026 0.85 MAOB (0.42) MAOBFFAR1
SCHEMBL753262 0.85 MAOB (0.42) MAOBFFAR1
SCHEMBL479859 0.85 SMN1; SMN2 (0.42) MAOBFFAR1ALOX5
SCHEMBL754449 0.85 SMN1; SMN2 (0.42) MAOBFFAR1ALOX5
Bicarbonate SCHEMBL15789708 0.83 ALOX5 (0.38) MAOBFFAR1ALOX5ALOX5AP

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
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

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 881/4885ADAM17 4709/4885FFAR1 45/4885

“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.