SCHEMBL3323628

SCHEMBL3323628

O=C(O)c1cccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52
FAAH O00519 2/20 0.50
CNR2 P34972 2/20 0.50
NR4A2 P43354 3/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
HSP90AA1 P07900 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
EPHX2 P34913 2/20 0.47
PLA2G4B P0C869 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
AKR1C3 P42330 1/20 0.44

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
SCHEMBL13333542 0.88 HIF1A (0.53) HIF1AEPAS1FAAHCNR2KMT2A
SCHEMBL31407796 0.86 HSP90AA1 (0.49) HIF1AEPAS1KMT2AALDH1A1HPGD
SCHEMBL3324082 0.86 ALDH1A1 (0.56) HIF1AEPAS1FAAHCNR2KMT2A
SCHEMBL13333538 0.85 ALDH1A1 (0.53) HIF1AEPAS1FAAHCNR2KMT2A
SCHEMBL3323551 0.83 HSP90AA1 (0.56) HIF1AEPAS1FAAHCNR2KMT2A
SCHEMBL13333540 0.83 SMN1; SMN2 (0.52) FAAHCNR2KMT2AALDH1A1HPGD
SCHEMBL13333541 0.83 FAAH (0.50) FAAHCNR2KMT2AALDH1A1HPGD
SCHEMBL3322188 0.77 ALDH1A1 (0.49) HIF1AEPAS1CNR2KMT2AALDH1A1
SCHEMBL1573075 0.75 NR4A2 (0.61) NR4A2KMT2APLA2G4BAKR1C3
SCHEMBL10167730 0.75 NR4A2 (0.65) NR4A2KMT2APLA2G4BAKR1C3

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 HIF1A 3036/4885EPAS1 3715/4885FAAH 2418/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HIF1A 2504/4885EPAS1 4240/4885FAAH 4120/4885

“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.