SCHEMBL3426809

SCHEMBL3426809

CC1(CCO)CCOc2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
BACE1 P56817 7/20 0.37
AKR1B1 P15121 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
MAP3K14 Q99558 1/20 0.34
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33

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
SCHEMBL3429359 0.81 ALDH1A1 (0.38) LMNAMAPTHTTBLMBACE1
SCHEMBL7140485 0.81 MAPT (0.38) LMNAMAPTHTTBLMBACE1
SCHEMBL3426450 0.80 RARA (0.33) LMNAMAPTAKR1B1MEN1NPC1
SCHEMBL7137830 0.80 RARA (0.38) LMNAMAPTHTTBLMBACE1
SCHEMBL3424828 0.80 ITGB2 (0.39) LMNAHTTGAAKMT2AMAP3K14
SCHEMBL12144413 0.78 LMNA (0.43) LMNAMAPTHTTBLMBACE1
SCHEMBL2599701 0.78 RARA (0.48) LMNAMAPTHTTBLMBACE1
SCHEMBL29616597 0.78 RARA (0.48) LMNAMAPTHTTBLMBACE1
SCHEMBL23704811 0.77 BACE1 (0.42) BACE1AKR1B1
SCHEMBL25498034 0.75 MAP3K14 (0.39) LMNAMAPTHTTBLMBACE1

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
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
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 LMNA 1829/4885MAPT 386/4885HTT 3238/4885

“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.