SCHEMBL5208399

SCHEMBL5208399

COc1ccccc1C(C)(C)CC(O)(C(=O)O)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NR3C2 P08235 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
NR3C1 P04150 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL4455966 0.86 NR3C2 (0.53) NR3C2NR3C1
SCHEMBL5207935 0.83 NR3C1 (0.43) KMT2AMEN1ALDH1A1NR3C2NR3C1
SCHEMBL5208204 0.81 HPGD (0.40) KMT2AMEN1ALDH1A1NR3C2NR3C1
SCHEMBL5208004 0.80 HPGD (0.42) KMT2AMEN1ALDH1A1NR3C2NR3C1
SCHEMBL4076900 0.79 KEAP1 (0.58) KMT2AMEN1ALDH1A1KEAP1NFE2L2
SCHEMBL27769800 0.75 NR3C1 (0.43) NR3C2NR3C1
SCHEMBL4557668 0.74 NR3C1 (0.44) NR3C2NR3C1
SCHEMBL5204293 0.74 KEAP1 (0.35) KEAP1NFE2L2CHRM3
SCHEMBL6556072 0.74 NR3C1 (0.54) NR3C2NR3C1
SCHEMBL5240375 0.73 NR3C1 (0.48) NR3C2KEAP1NFE2L2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467982-B8 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2007-04-11 EP disclosed
US-7189758-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
EP-1467982-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2006-11-22 EP disclosed
US-20060030561-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 US disclosed
US-6960581-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-01 US disclosed
EP-1467982-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-10-20 EP disclosed
US-20030232823-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-18 US disclosed
WO-2003059899-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-07-24 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-20030232823-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof NR3C1, NR3C2, MC2R KMT2A 4339/4885MEN1 1024/4885ALDH1A1 2573/4885
US-20060030561-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof NR3C1, MC2R, NR3C2 KMT2A 4289/4885MEN1 773/4885ALDH1A1 4160/4885

“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.