SCHEMBL3319558

SCHEMBL3319558

COc1cc2c(cc1O)CCN(C(=O)C13CC4CC(CC(C4)C1)C3)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ SRD5A2 P31213 1/20 0.48
▸ CNR2 P34972 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ PDE4B Q07343 2/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ DRD2 P14416 5/20 0.46
▸ DRD1 P21728 3/20 0.46
▸ DRD5 P21918 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL3322523 0.93 HSD11B1 (0.62) HSD11B1NPSR1HSD17B10SRD5A2CNR2
SCHEMBL3322835 0.83 ALDH1A1 (0.52) NPSR1HSD17B10KDM4EALDH1A1LMNA
SCHEMBL3320913 0.80 CHRNA7 (0.58) HSD11B1NPSR1HSD17B10KDM4EALDH1A1
SCHEMBL9669207 0.79 MAPK1 (0.56) HSD17B10KDM4EALDH1A1MAPK1PDE4B
SCHEMBL3504393 0.79 MAPK1 (0.56) HSD17B10KDM4EALDH1A1MAPK1PDE4B
SCHEMBL8793697 0.79 MAPK1 (0.56) NPSR1HSD17B10KDM4EALDH1A1MAPK1
SCHEMBL25860093 0.78 CYP3A4 (0.65) HSD11B1NPSR1HSD17B10ALDH1A1LMNA
SCHEMBL3506243 0.78 HRH3 (0.56) HSD17B10KDM4EALDH1A1MAPK1MEN1
SCHEMBL13361620 0.76 CHRNA7 (0.55) HSD11B1NPSR1HSD17B10KDM4EALDH1A1
SCHEMBL3322456 0.75 ALDH1A1 (0.58) NPSR1HSD17B10KDM4EALDH1A1LMNA

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 6 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
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 HSD11B1 3/4885NPSR1 765/4885HSD17B10 13/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HSD11B1 73/4885NPSR1 144/4885HSD17B10 332/4885

“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.

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