SCHEMBL12397331

SCHEMBL12397331

CN1CCN(CC(=O)[C@@]2(O)CCC3C4CCC5=CC(=O)CCC5(C)C4[C@@H](O)CC32C)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.74
▸ NR3C1 P04150 8/20 0.74
▸ SMN1; SMN2 Q16637 3/20 0.74
▸ CYP2C19 P33261 2/20 0.74
▸ HSD17B10 Q99714 2/20 0.74
▸ PGR P06401 2/20 0.74
▸ SERPINA6 P08185 2/20 0.74
▸ CYP3A4 P08684 2/20 0.74
▸ NFKB1 P19838 2/20 0.74
▸ MAPT P10636 2/20 0.74
▸ SHBG P04278 1/20 0.74
▸ NR3C2 P08235 1/20 0.74
▸ KMT2A Q03164 1/20 0.74
▸ LMNA P02545 2/20 0.69
▸ AR P10275 1/20 0.69
▸ CHRM1 P11229 1/20 0.69
▸ PMP22 Q01453 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ POLB P06746 1/20 0.61
▸ GAA P10253 1/20 0.61

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
SCHEMBL12397343 0.92 HIF1A (0.72) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL9200297 0.87 HIF1A (0.66) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL9200302 0.87 HIF1A (0.66) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL9205611 0.87 HIF1A (0.65) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL9200171 0.87 HIF1A (0.65) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL9205622 0.87 HIF1A (0.65) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL9200163 0.87 HIF1A (0.65) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL9073227 0.87 HSD17B10 (0.72) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL9201448 0.86 HIF1A (0.64) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL9206099 0.86 HIF1A (0.64) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10

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 HIF1A 3951/4885NR3C1 1/4885SMN1; SMN2 2419/4885

“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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