SCHEMBL2020622

SCHEMBL2020622

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)CO)O1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 9/20 0.73
▸ NR3C1 P04150 6/20 0.73
▸ PGR P06401 5/20 0.73
▸ CYP3A4 P08684 5/20 0.73
▸ SMN1; SMN2 Q16637 4/20 0.73
▸ ABCB11 O95342 2/20 0.73
▸ AR P10275 1/20 0.73
▸ NPSR1 Q6W5P4 1/20 0.73
▸ NR3C2 P08235 6/20 0.64
▸ HSD17B10 Q99714 4/20 0.64
▸ CYP2C19 P33261 3/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ SHBG P04278 2/20 0.64
▸ SERPINA6 P08185 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ NFKB1 P19838 2/20 0.64
▸ LMNA P02545 4/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ ADRA2A P08913 1/20 0.56

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
SCHEMBL13768969 0.93 HIF1A (0.64) HIF1ANR3C1PGRCYP3A4SMN1; SMN2
SCHEMBL16017612 0.92 HIF1A (0.63) HIF1ANR3C1PGRCYP3A4SMN1; SMN2
SCHEMBL21706395 0.92 HIF1A (0.63) HIF1ANR3C1PGRCYP3A4SMN1; SMN2
SCHEMBL2019946 0.92 HIF1A (0.61) HIF1ANR3C1PGRCYP3A4SMN1; SMN2
SCHEMBL11880147 0.90 HIF1A (0.62) HIF1ANR3C1PGRCYP3A4SMN1; SMN2
Desonide SCHEMBL17503255 0.87 NR3C1 (0.76) HIF1ANR3C1PGRCYP3A4SMN1; SMN2
SCHEMBL13654495 0.87 HIF1A (0.63) HIF1ANR3C1PGRCYP3A4SMN1; SMN2
SCHEMBL11878820 0.86 HIF1A (0.56) HIF1ANR3C1PGRCYP3A4SMN1; SMN2
Flurandrenolide SCHEMBL5042122 0.85 CYP3A4 (1.00) HIF1ANR3C1PGRCYP3A4SMN1; SMN2
Flurandrenolide SCHEMBL13769220 0.85 CYP3A4 (1.00) HIF1ANR3C1PGRCYP3A4SMN1; SMN2

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-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
US-4839282-A Preparation of 3-oxo-Δ1,4 -steroids SCHERING AKTIENGESELLSCHAFT (DE) 1989-06-13 — — US disclosed
US-3975378-A ANTIINFLAMMATORY SYNTEX (U.S.A.) INC. (US) 1976-08-17 — — 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-20110160167-A1 Steroid Derivatives Acting As Glucocorticosteroid Receptor Agonists NR3C1, NR3C2, MC2R HIF1A 3437/4885NR3C1 1/4885PGR 24/4885

“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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