SCHEMBL13656019

SCHEMBL13656019

CC1(C)O[C@@H]2C[C@H]3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(=O)CCCO[N+](=O)[O-])O1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.68
▸ HIF1A Q16665 6/20 0.68
▸ NR3C1 P04150 5/20 0.68
▸ PGR P06401 5/20 0.68
▸ CYP3A4 P08684 4/20 0.68
▸ NR1I2 O75469 2/20 0.68
▸ MAPT P10636 3/20 0.66
▸ NPSR1 Q6W5P4 2/20 0.66
▸ CNR1 P21554 1/20 0.66
▸ KCNH2 Q12809 1/20 0.66
▸ USP2 O75604 1/20 0.66
▸ AR P10275 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ IKBKB O14920 1/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ ROCK2 O75116 1/20 0.55
▸ PRKCA P17252 1/20 0.55
▸ PRKACA P17612 1/20 0.55

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
SCHEMBL13656343 0.98 LMNA (0.67) LMNAHIF1ANR3C1PGRCYP3A4
SCHEMBL13656023 0.97 LMNA (0.66) LMNAHIF1ANR3C1PGRCYP3A4
SCHEMBL13656024 0.96 LMNA (0.70) LMNAHIF1ANR3C1PGRCYP3A4
SCHEMBL13388944 0.93 LMNA (0.62) LMNAHIF1ANR3C1PGRCYP3A4
SCHEMBL13656022 0.93 LMNA (0.72) LMNAHIF1ANR3C1PGRCYP3A4
SCHEMBL13655904 0.92 HIF1A (0.68) LMNAHIF1ANR3C1PGRCYP3A4
SCHEMBL13655912 0.92 HIF1A (0.68) LMNAHIF1ANR3C1PGRCYP3A4
SCHEMBL13655883 0.92 LMNA (0.68) LMNAHIF1ANR3C1PGRCYP3A4
SCHEMBL13388933 0.92 LMNA (0.60) LMNAHIF1ANR3C1PGRCYP3A4
SCHEMBL13388753 0.91 LMNA (0.61) LMNAHIF1ANR3C1PGRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294769-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS FERRER INTERNACIONAL S.A. (ES) 2011-12-01 — — US disclosed
US-20090264393-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NICOX S.A. (FR) 2009-10-22 — — US disclosed
US-20090264394-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NICOX S.A. (FR) 2009-10-22 — — US disclosed
US-20090258849-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NICOX S.A. 2009-10-15 — — US disclosed
US-20080221073-A1 Nitrooxy Derivatives of Glucocorticoids NICOX S.A. (FR) 2008-09-11 — — 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 (5 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-20080221073-A1 Nitrooxy Derivatives of Glucocorticoids NR3C1, NR3C2, NR5A1 LMNA 4130/4885HIF1A 3438/4885NR3C1 1/4885
US-20090264393-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 LMNA 4130/4885HIF1A 3438/4885NR3C1 1/4885
US-20110294769-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 LMNA 4130/4885HIF1A 3438/4885NR3C1 1/4885
US-20090264394-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 LMNA 4130/4885HIF1A 3438/4885NR3C1 1/4885
US-20090258849-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 LMNA 4130/4885HIF1A 3438/4885NR3C1 1/4885

“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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