SCHEMBL12396748

SCHEMBL12396748

CCC[C@@H]1O[C@H]2CC3C4CCC5=CC(=O)C=CC5(C)C4[C@@H](O)CC3(C)[C@]2(C(=O)O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 11/20 0.86
▸ PGR P06401 6/20 0.86
▸ CYP3A4 P08684 3/20 0.86
▸ HIF1A Q16665 3/20 0.86
▸ LMNA P02545 2/20 0.86
▸ ABCC3 O15438 1/20 0.86
▸ ABCC4 O15439 1/20 0.86
▸ ABCB11 O95342 1/20 0.86
▸ IL5 P05113 1/20 0.86
▸ NR3C2 P08235 1/20 0.86
▸ AR P10275 1/20 0.86
▸ CHRM1 P11229 1/20 0.86
▸ MMP9 P14780 1/20 0.86
▸ NFKB1 P19838 1/20 0.86
▸ THPO P40225 1/20 0.86
▸ SMN1; SMN2 Q16637 1/20 0.86
▸ HSD17B10 Q99714 1/20 0.86
▸ BLM P54132 1/20 0.86
▸ PMP22 Q01453 1/20 0.86
▸ NPSR1 Q6W5P4 1/20 0.86

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
SCHEMBL7741860 1.00 NR3C1 (0.86) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL12465053 1.00 NR3C1 (0.86) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL30376033 0.94 NR3C1 (0.83) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL7905859 0.94 NR3C1 (0.82) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL20149287 0.94 NR3C1 (0.85) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL20370199 0.94 NR3C1 (0.89) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL20223507 0.94 NR3C1 (0.89) NR3C1PGRCYP3A4HIF1ALMNA
Budesonide SCHEMBL4448854 0.93 NR3C1 (0.97) NR3C1PGRCYP3A4HIF1ALMNA
Budesonide SCHEMBL13871728 0.93 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1ALMNA
Budesonide SCHEMBL1130417 0.93 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524697-B2 C20-C21 substituted glucocorticoid receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-09-03 — — US disclosed
US-8524697-B2 C20-C21 substituted glucocorticoid receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-09-03 — — US disclosed
US-20110182828-A1 C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS SCHERING CORPORATION (US) 2011-07-28 — — US disclosed
US-20110182828-A1 C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS SCHERING CORPORATION (US) 2011-07-28 — — 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 (1 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-20110182828-A1 C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS NR3C1, MC2R, NR3C2 NR3C1 1/4885PGR 318/4885CYP3A4 342/4885

“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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