SCHEMBL13655947

SCHEMBL13655947

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)Cc1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.70
▸ LMNA P02545 2/20 0.70
▸ PGR P06401 3/20 0.69
▸ NR3C1 P04150 12/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ CYP3A4 P08684 2/20 0.63
▸ TNF P01375 2/20 0.63
▸ ABCB11 O95342 1/20 0.63
▸ IL6 P05231 1/20 0.63
▸ SERPINA6 P08185 1/20 0.63
▸ NR3C2 P08235 1/20 0.63
▸ AR P10275 1/20 0.63
▸ GLUL P15104 1/20 0.63
▸ ADAM17 P78536 1/20 0.63
▸ GPBAR1 Q8TDU6 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ KMT2A Q03164 1/20 0.57
▸ USP2 O75604 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 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
SCHEMBL13655931 0.93 HIF1A (0.66) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL13692238 0.92 HIF1A (0.70) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL186333 0.92 HIF1A (0.70) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL7573129 0.92 HIF1A (0.70) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL13655987 0.90 HIF1A (0.68) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL13655943 0.90 HIF1A (0.78) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL11060907 0.89 HIF1A (0.77) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL6681351 0.89 HIF1A (0.66) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL13655939 0.88 HIF1A (0.79) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL13656299 0.87 NR3C1 (0.75) HIF1ALMNAPGRNR3C1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264394-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NICOX S.A. (FR) 2009-10-22 — — 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-20090264394-A1 NITROOXY DERIVATIVES OF GLUCOCORTICOIDS NR3C1, NR3C2, NR5A1 HIF1A 3438/4885LMNA 4130/4885PGR 161/4885

“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.

Send feedback