SCHEMBL3323286

SCHEMBL3323286

O=C(N(Cc1cccs1)CC1CCCCC1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.62
CYP3A4 P08684 2/20 0.62
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3325046 0.82 HSD11B1 (0.73) HSD11B1CYP3A4KMT2AMEN1
SCHEMBL3321381 0.80 HSD11B1 (0.66) HSD11B1CYP3A4KMT2AALDH1A1MEN1
SCHEMBL3322979 0.77 HSD11B1 (1.00) HSD11B1CYP3A4KMT2AMEN1
SCHEMBL3324080 0.74 HSD11B1 (0.71) HSD11B1CYP3A4KMT2AMEN1L3MBTL1
SCHEMBL3322601 0.72 HSD11B1 (1.00) HSD11B1CYP3A4KMT2AMEN1
SCHEMBL13333206 0.70 HSD11B1 (0.69) HSD11B1CYP3A4KMT2AALDH1A1MEN1
SCHEMBL10749780 0.69 SIGMAR1 (0.46) HSD11B1CYP3A4KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL3325106 0.69 HSD11B1 (0.67) HSD11B1CYP3A4KMT2AALDH1A1MEN1
SCHEMBL13333009 0.67 HSD11B1 (1.00) HSD11B1CYP3A4KMT2AALDH1A1HPGD
SCHEMBL3321956 0.67 HSD11B1 (1.00) HSD11B1CYP3A4KMT2AMEN1KDM4E

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 5 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

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 HSD11B1 3/4885CYP3A4 72/4885KMT2A 3083/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HSD11B1 73/4885CYP3A4 100/4885KMT2A 2533/4885

“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.