SCHEMBL2019946

SCHEMBL2019946

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)O)O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 9/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ CYP3A4 P08684 5/20 0.61
▸ NR3C1 P04150 4/20 0.61
▸ PGR P06401 4/20 0.61
▸ AR P10275 2/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ LMNA P02545 4/20 0.59
▸ CYP17A1 P05093 1/20 0.56
▸ NR3C2 P08235 4/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ SERPINA6 P08185 3/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ SHBG P04278 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ NFKB1 P19838 2/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HSD11B1 P28845 2/20 0.55
▸ HSD11B2 P80365 2/20 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
SCHEMBL11880147 0.94 HIF1A (0.62) HIF1ASMN1; SMN2CYP3A4NR3C1PGR
SCHEMBL2020622 0.92 HIF1A (0.73) HIF1ASMN1; SMN2CYP3A4NR3C1PGR
SCHEMBL13768969 0.92 HIF1A (0.64) HIF1ASMN1; SMN2CYP3A4NR3C1PGR
SCHEMBL16017612 0.91 HIF1A (0.63) HIF1ASMN1; SMN2CYP3A4NR3C1PGR
SCHEMBL21706395 0.91 HIF1A (0.63) HIF1ASMN1; SMN2CYP3A4NR3C1PGR
SCHEMBL28106323 0.89 CYP17A1 (0.72) HIF1ASMN1; SMN2CYP3A4NR3C1PGR
SCHEMBL27780950 0.89 CYP17A1 (0.72) HIF1ASMN1; SMN2CYP3A4NR3C1PGR
SCHEMBL2014488 0.85 NR3C1 (0.55) HIF1ASMN1; SMN2CYP3A4NR3C1PGR
SCHEMBL11878820 0.85 HIF1A (0.56) HIF1ASMN1; SMN2CYP3A4NR3C1PGR
SCHEMBL2020336 0.83 HIF1A (0.62) HIF1ASMN1; SMN2CYP3A4NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160167-A1 Steroid Derivatives Acting As Glucocorticosteroid Receptor Agonists ASTRAZENECA AB (SE) 2011-06-30 — — US disclosed
US-20110160167-A1 Steroid Derivatives Acting As Glucocorticosteroid Receptor Agonists ASTRAZENECA AB (SE) 2011-06-30 — — US disclosed
WO-2009082342-A1 STEROID DERIVATIVES ACTING AS GLUCOCORTICOSTEROID RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-07-02 — — WO 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-20110160167-A1 Steroid Derivatives Acting As Glucocorticosteroid Receptor Agonists NR3C1, NR3C2, MC2R HIF1A 3437/4885SMN1; SMN2 4709/4885CYP3A4 360/4885

“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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