SCHEMBL12396736

SCHEMBL12396736

C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3[C@@H](O)CC2(C)[C@@]1(O)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 16/20 0.81
▸ HIF1A Q16665 2/20 0.70
▸ PGR P06401 2/20 0.70
▸ LMNA P02545 1/20 0.70
▸ NR1I2 O75469 1/20 0.70
▸ CNR1 P21554 1/20 0.70
▸ HSD17B10 Q99714 2/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ TNF P01375 1/20 0.60
▸ IL6 P05231 1/20 0.60
▸ SERPINA6 P08185 1/20 0.60
▸ NR3C2 P08235 1/20 0.60
▸ AR P10275 1/20 0.60
▸ GLUL P15104 1/20 0.60
▸ ADAM17 P78536 1/20 0.60
▸ GPBAR1 Q8TDU6 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60

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
SCHEMBL11573398 1.00 NR3C1 (0.81) NR3C1HIF1APGRLMNANR1I2
SCHEMBL11808815 0.92 NR3C1 (0.78) NR3C1HIF1APGRLMNANR1I2
SCHEMBL11808825 0.92 NR3C1 (0.78) NR3C1HIF1APGRLMNANR1I2
SCHEMBL11817703 0.92 NR3C1 (0.78) NR3C1HIF1APGRLMNANR1I2
SCHEMBL10497255 0.92 NR3C1 (0.81) NR3C1HIF1APGRLMNANR1I2
SCHEMBL11852695 0.92 NR3C1 (0.81) NR3C1HIF1APGRLMNANR1I2
SCHEMBL10497270 0.92 NR3C1 (0.81) NR3C1HIF1APGRLMNANR1I2
SCHEMBL10589155 0.92 NR3C1 (0.81) NR3C1HIF1APGRLMNANR1I2
SCHEMBL11415092 0.92 NR3C1 (0.81) NR3C1HIF1APGRLMNANR1I2
SCHEMBL11235126 0.91 NR3C1 (0.76) NR3C1HIF1APGRLMNANR1I2

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 1/4885HIF1A 3951/4885PGR 318/4885

“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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