SCHEMBL3322239

SCHEMBL3322239

CC(C)(C)c1ccc(CSCC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX2 P34913 1/20 0.41
HSD11B1 P28845 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ACE P12821 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
EPHX1 P07099 3/20 0.39
HPGD P15428 1/20 0.38
PTGES O14684 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL13949541 0.86 MEN1 (0.41) MEN1KMT2AEPHX2HSD11B1LMNA
SCHEMBL3321817 0.82 ALDH1A1 (0.48) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL6084424 0.82 P2RX7 (0.52) MEN1KMT2ALMNAALDH1A1
SCHEMBL1769928 0.80 CYP17A1 (0.55) MEN1KMT2AHSD11B1LMNAALDH1A1
SCHEMBL3320960 0.76 LMNA (0.44) MEN1KMT2AEPHX2HSD11B1LMNA
SCHEMBL3321390 0.75 MEN1 (0.47) MEN1KMT2AEPHX2HSD11B1ALDH1A1
SCHEMBL1769971 0.75 EPHX1 (0.44) HSD11B1LMNAALDH1A1EPHX1HPGD
SCHEMBL3328779 0.74 MEN1 (0.46) MEN1KMT2AEPHX2HSD11B1LMNA
SCHEMBL1769988 0.74 DAO (0.42) HSD11B1LMNAALDH1A1PTGES
SCHEMBL13778155 0.74 HTT (0.56) MEN1KMT2AEPHX2LMNAALDH1A1

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-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 MEN1 3474/4885KMT2A 3083/4885EPHX2 481/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 MEN1 2608/4885KMT2A 2533/4885EPHX2 1653/4885

“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.