SCHEMBL3421841

SCHEMBL3421841

C[CH]CC(O)(CC1(C)CCOc2ccc(F)cc21)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.42
AKR1B10 O60218 1/20 0.38
MAPT P10636 1/20 0.38
AKR1A1 P14550 1/20 0.38
NR3C1 P04150 3/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
APP P05067 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL13160455 0.83 AKR1B1 (0.41) AKR1B1AKR1B10MAPTAKR1A1NR3C1
SCHEMBL4456598 0.81 AKR1B1 (0.45) AKR1B1AKR1B10MAPTAKR1A1NR3C1
SCHEMBL3424115 0.76 NR3C1 (0.61) NR3C1PGRNR3C2
SCHEMBL3428145 0.76 NR3C1 (0.61) AKR1B1NR3C1PGRNR3C2
SCHEMBL3427033 0.75 NR3C1 (0.52) AKR1B1NR3C1PGRNR3C2
SCHEMBL293772 0.74 NR3C1 (0.62) AKR1B1NR3C1PGRNR3C2
SCHEMBL3426910 0.74 NR3C1 (0.56) NR3C1PGRNR3C2
SCHEMBL3428653 0.74 NR3C1 (0.56) NR3C1PGRNR3C2
SCHEMBL4486600 0.73 NR3C1 (0.47) AKR1B1NR3C1PGRNR3C2
SCHEMBL3428327 0.73 AKR1B1 (0.46) AKR1B1AKR1B10MAPTAKR1A1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed
EP-1727813-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-06 EP disclosed
WO-2005090336-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed
US-20050203128-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-15 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-20050203128-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R AKR1B1 289/4885AKR1B10 783/4885MAPT 386/4885

“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.