SCHEMBL3323134

SCHEMBL3323134

O=C(NC12CC3CC(CC(C3)C1)C2)OCc1cccs1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 3/20 0.56
GLA P06280 1/20 0.53
HSD11B1 P28845 6/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP3A4 P08684 2/20 0.47
EPHX2 P34913 2/20 0.46
FAAH O00519 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3320923 0.87 KDM4E (0.57) KDM4EALDH1A1GLAHSD11B1KMT2A
SCHEMBL13949550 0.86 NPC1 (0.46) KDM4EALDH1A1GLAHSD11B1KMT2A
SCHEMBL3321977 0.78 HSD11B1 (0.69) KDM4EALDH1A1GLAHSD11B1KMT2A
SCHEMBL3322037 0.75 HSD11B1 (0.69) KDM4EALDH1A1GLAHSD11B1NPC1
SCHEMBL13590484 0.75 CNR2 (0.57) ALDH1A1KMT2AEPHX2FAAHMEN1
SCHEMBL13949886 0.74 KDM4E (0.43) KDM4EALDH1A1GLAHSD11B1KMT2A
SCHEMBL3323180 0.72 HSD11B1 (0.56) KDM4EALDH1A1HSD11B1KMT2ACYP3A4
SCHEMBL13064065 0.72 KMT2A (0.47) KDM4EALDH1A1KMT2AEPHX2FAAH
SCHEMBL14644904 0.71 EPHX2 (0.57) ALDH1A1KMT2AEPHX2MEN1MAPK1
SCHEMBL15009750 0.71 KDM4E (0.59) KDM4EALDH1A1GLAHSD11B1KMT2A

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 1839/4885ALDH1A1 437/4885GLA 3321/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 KDM4E 1594/4885ALDH1A1 3143/4885GLA 4285/4885

“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.