SCHEMBL3320923

SCHEMBL3320923

O=C(NC12CC3CC(CC(C3)C1)C2)OCCc1cccs1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
HSD11B1 P28845 6/20 0.54
ALDH1A1 P00352 4/20 0.54
GLA P06280 1/20 0.51
CYP3A4 P08684 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 3/20 0.47
EPHX2 P34913 1/20 0.44
MEN1 O00255 2/20 0.43
FAAH O00519 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3323134 0.87 KDM4E (0.59) KDM4EHSD11B1ALDH1A1GLACYP3A4
SCHEMBL13949886 0.87 KDM4E (0.43) KDM4EHSD11B1ALDH1A1GLACYP3A4
SCHEMBL3322037 0.79 HSD11B1 (0.69) KDM4EHSD11B1ALDH1A1GLAEPHX2
SCHEMBL3321977 0.76 HSD11B1 (0.69) KDM4EHSD11B1ALDH1A1GLAKMT2A
SCHEMBL13949550 0.74 NPC1 (0.46) KDM4EHSD11B1ALDH1A1GLACYP3A4
SCHEMBL13320019 0.73 L3MBTL1 (0.57) ALDH1A1L3MBTL1KMT2AEPHX2MEN1
SCHEMBL8684761 0.72 SMN1; SMN2 (0.50) KDM4EHSD11B1ALDH1A1CYP3A4L3MBTL1
SCHEMBL13320029 0.72 L3MBTL1 (0.58) ALDH1A1L3MBTL1KMT2AEPHX2MEN1
SCHEMBL22691765 0.71 SMN1; SMN2 (0.53) KDM4EALDH1A1CYP3A4L3MBTL1KMT2A
SCHEMBL27812443 0.70 GAA (0.44) KDM4EALDH1A1CYP3A4L3MBTL1KMT2A

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
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-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 KDM4E 1839/4885HSD11B1 3/4885ALDH1A1 437/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 KDM4E 1594/4885HSD11B1 73/4885ALDH1A1 3143/4885

“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.