SCHEMBL5203973

SCHEMBL5203973

CCOC(=O)C(=O)CC(C)(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.42
PIN1 Q13526 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CES2 O00748 1/20 0.40
ACHE P22303 1/20 0.40
CES1 P23141 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL4488702 0.84 CYP2C19 (0.50) MEN1KMT2AMAPTALDH1A1CYP2C19
SCHEMBL5884983 0.84 MAPT (0.50) MEN1KMT2AMAPTALDH1A1CYP2C19
SCHEMBL21447568 0.83 HSD11B1 (0.52) MEN1KMT2AMAPTALDH1A1CYP2C19
SCHEMBL3534906 0.83 KCNN4 (0.47) KMT2AMAPTALDH1A1CYP2C19HIF1A
SCHEMBL5644900 0.82 MAPT (0.45) MEN1KMT2AMAPTALDH1A1CYP2C19
SCHEMBL28986385 0.82 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1CYP2C19
SCHEMBL3532960 0.81 ALDH1A1 (0.43) MAPTALDH1A1TSHRSMN1; SMN2TDP1
SCHEMBL3534323 0.78 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3535049 0.78 CYP2C19 (0.53) KMT2AMAPTALDH1A1CYP2C19HIF1A
SCHEMBL3533288 0.77 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238707-B2 Substituted pentanols, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2007-07-03 US disclosed
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
US-7189758-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-13 US 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
CN-1863775-A 1- (quinoline-amino) -and 1- (isoquinoline-amino) -substituted pentanols, process for their preparation and their use as anti-inflammatory agents SCHERING AG (DE) 2006-11-15 CN disclosed
EP-1673344-A1 1-(QUINOLINE AMINO) AND 1-(ISOQUINOLINE AMINO)-SUBSTITUTED PENTAN-2-OLS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORIES Schering Aktiengesellschaft (DE) 2006-06-28 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
US-20050143415-A1 Substituted pentanols, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-06-30 US disclosed
WO-2005035502-A1 1-(QUINOLINE AMINO) AND 1-(ISOQUINOLINE AMINO)-SUBSTITUTED PENTAN-2-OLS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORIES SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO 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 (3 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 MEN1 1024/4885KMT2A 4339/4885MAPT 314/4885
US-20050143415-A1 Substituted pentanols, a process for their production and their use as anti-inflammatory agents PTGES, TNF, PTGES2 MEN1 4581/4885KMT2A 4713/4885MAPT 2931/4885
US-20060030561-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof NR3C1, MC2R, NR3C2 MEN1 773/4885KMT2A 4289/4885MAPT 96/4885

“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.