SCHEMBL3322456

SCHEMBL3322456

COc1cc2c(cc1OC)CN(C(=O)CC13CC4CC(CC(C4)C1)C3)CC2

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ KMT2A Q03164 4/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ ABCB1 P08183 1/20 0.52
▸ ABCC1 P33527 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MAPT P10636 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ DPP8 Q6V1X1 1/20 0.50
▸ MAPK1 P28482 1/20 0.50

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
SCHEMBL3322835 0.93 ALDH1A1 (0.52) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL3322815 0.88 KMT2A (0.60) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL3322523 0.81 HSD11B1 (0.62) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL3456257 0.79 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10KMT2ANPC1
SCHEMBL6973736 0.79 ALDH1A1 (0.56) ALDH1A1LMNANPSR1SMN1; SMN2MAPT
SCHEMBL14996180 0.78 KMT2A (0.67) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL13950149 0.78 KMT2A (0.57) ALDH1A1KDM4ENPSR1HSD17B10KMT2A
SCHEMBL22196923 0.77 KMT2A (0.66) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL21255890 0.77 KMT2A (0.66) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL13059438 0.76 KMT2A (0.68) ALDH1A1KDM4ELMNATP53NPSR1

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 ALDH1A1 437/4885KDM4E 1839/4885LMNA 4234/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 ALDH1A1 3143/4885KDM4E 1594/4885LMNA 4234/4885

“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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