SCHEMBL5637544

SCHEMBL5637544

O=CC1(c2cccc(F)c2F)CCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.47
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
BCHE P06276 1/20 0.37
PDE7A Q13946 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HPGD P15428 1/20 0.33
ERN1 O75460 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
SPR P35270 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
SCHEMBL29913527 0.85 HDAC4 (0.45) HDAC4CES2CES1PDE7AHDAC6
SCHEMBL625059 0.85 HDAC4 (0.45) HDAC4CES2CES1PDE7AHDAC6
SCHEMBL29275064 0.77 HDAC4 (0.43) HDAC4CES2CES1PDE7AHDAC6
SCHEMBL19357510 0.77 HDAC4 (0.40) HDAC4PDE7A
SCHEMBL23270159 0.76 CES2 (0.38) HDAC4CES2CES1
SCHEMBL27655423 0.75 ERN1 (0.47) HDAC4CES2CES1BCHEPDE7A
SCHEMBL5075891 0.72 PDE7A (0.38) HDAC4CES1PDE7AHDAC6HDAC3
SCHEMBL18769601 0.72 HDAC4 (0.47) HDAC4
SCHEMBL22778198 0.72 HDAC4 (0.51) HDAC4CES2CES1BCHEPDE7A
SCHEMBL22803539 0.71 HDAC4 (0.47) HDAC4CES2CES1BCHEPDE7A

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-1532122-B1 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME (US) 2011-12-14 EP disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
EP-1532122-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA Merck & Co., Inc. (US) 2005-05-25 EP disclosed
US-20040106664-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME LLC 2004-06-03 US disclosed
US-6730690-B2 DELAYING THE ONSET OR REDUCING THE RISK OF DEVELOPING ATHEROSCLEROSIS IN A HUMAN PATIENT COMPRISING ADMINISTERING TO SAID PATIENT AN EFFECTIVE AMOUNT OF A COMPOUND OF INVENTION AND AN HMG-COA REDUCTASE INHIBITOR MERCK & CO., INC. 2004-05-04 US disclosed
US-20040048912-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK SHARP & DOHME LLC 2004-03-11 US disclosed
WO-2003104208-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-12-18 WO disclosed
WO-2003104207-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-12-18 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-20040048912-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA HSD11B1, HSD17B1, HSD11B2 HDAC4 1252/4885CES2 426/4885CES1 22/4885
US-20040106664-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD11B2, HSD17B1 HDAC4 1567/4885CES2 505/4885CES1 33/4885

“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.