SCHEMBL3322896

SCHEMBL3322896

COC(=O)c1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.59
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HIF1A Q16665 4/20 0.53
EPAS1 Q99814 2/20 0.53
MDH1 P40925 1/20 0.53
MDH2 P40926 1/20 0.53
EP300 Q09472 1/20 0.53
CYP3A4 P08684 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
EPHX2 P34913 1/20 0.49
POLB P06746 1/20 0.49
BLM P54132 1/20 0.49
CNR2 P34972 1/20 0.49
HSD11B1 P28845 1/20 0.48

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
SCHEMBL3320958 0.85 PLK1 (0.52) HSP90AA1ALDH1A1RAB9ASMN1; SMN2EPHX2
SCHEMBL3324082 0.85 ALDH1A1 (0.56) HSP90AA1MAPTLMNAALDH1A1HIF1A
SCHEMBL3323551 0.85 HSP90AA1 (0.56) HSP90AA1HIF1AEPAS1CYP3A4RAB9A
SCHEMBL3323184 0.84 RAB9A (0.51) HSP90AA1MAPTLMNAGAAALDH1A1
SCHEMBL13333535 0.83 MEN1 (0.55) HSP90AA1MAPTGAAALDH1A1HIF1A
SCHEMBL3318135 0.83 HSP90AA1 (0.49) HSP90AA1GAAALDH1A1RAB9AEPHX2
SCHEMBL3319579 0.83 CNR2 (0.49) HSP90AA1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3356553 0.82 AOC3 (0.51) HSP90AA1MAPTLMNAALDH1A1MDH1
SCHEMBL3327170 0.82 EPHX2 (0.53) HSP90AA1MAPTALDH1A1RAB9ANPC1
SCHEMBL3322521 0.82 HSD11B1 (0.72) HSP90AA1MAPTLMNAGAAALDH1A1

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 7 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
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 HSP90AA1 4402/4885MAPT 4815/4885LMNA 4234/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HSP90AA1 4874/4885MAPT 4740/4885LMNA 4234/4885

“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.