SCHEMBL3428327

SCHEMBL3428327

CC1(CC(O)C(F)(F)F)CCOc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 8/20 0.46
AKR1B10 O60218 1/20 0.41
MAPT P10636 1/20 0.41
AKR1A1 P14550 1/20 0.41
APP P05067 2/20 0.32
BACE1 P56817 2/20 0.32
CHRNA7 P36544 1/20 0.32
RIPK1 Q13546 2/20 0.32
KIF11 P52732 2/20 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
SCHEMBL3427001 0.84 AKR1B1 (0.32) AKR1B1
SCHEMBL13761822 0.84 AKR1B1 (0.47) AKR1B1AKR1B10MAPTAKR1A1APP
SCHEMBL5175220 0.83 KMT2A (0.33) AKR1B1MAPTKIF11
SCHEMBL3426749 0.78 AKR1B1 (0.55) AKR1B1AKR1B10MAPTAKR1A1RIPK1
SCHEMBL4456598 0.77 AKR1B1 (0.45) AKR1B1AKR1B10MAPTAKR1A1APP
SCHEMBL3424437 0.75 AKR1B1 (0.47) AKR1B1AKR1B10MAPTAKR1A1APP
SCHEMBL3424941 0.74 AKR1B1 (0.51) AKR1B1AKR1B10MAPTAKR1A1APP
SCHEMBL3426706 0.74 AKR1B1 (0.48) AKR1B1AKR1B10MAPTAKR1A1APP
SCHEMBL13183293 0.73 AKR1B1 (0.56) AKR1B1AKR1B10MAPTAKR1A1KIF11
SCHEMBL3421841 0.73 AKR1B1 (0.42) 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 11 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
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 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
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 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
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 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 (2 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
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R AKR1B1 257/4885AKR1B10 637/4885MAPT 361/4885

“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.