SCHEMBL13653668

SCHEMBL13653668

CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C(C=O)C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.76
▸ NR3C1 P04150 9/20 0.76
▸ CYP3A4 P08684 6/20 0.76
▸ HIF1A Q16665 6/20 0.76
▸ AR P10275 5/20 0.76
▸ ABCB11 O95342 3/20 0.76
▸ SMN1; SMN2 Q16637 2/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.76
▸ LMNA P02545 6/20 0.67
▸ HSD17B10 Q99714 3/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ HTR1A P08908 1/20 0.67
▸ ADRA2A P08913 1/20 0.67
▸ ADRA1A P35348 1/20 0.67
▸ MAPT P10636 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NR1I2 O75469 1/20 0.43
▸ KMT2A Q03164 2/20 0.41

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
SCHEMBL2017551 0.88 NR3C1 (0.59) PGRNR3C1CYP3A4HIF1AAR
Flurandrenolide SCHEMBL5490827 0.86 CYP3A4 (1.00) PGRNR3C1CYP3A4HIF1AAR
Flurandrenolide SCHEMBL21111542 0.86 CYP3A4 (1.00) PGRNR3C1CYP3A4HIF1AAR
Flurandrenolide SCHEMBL13769220 0.86 CYP3A4 (1.00) PGRNR3C1CYP3A4HIF1AAR
Flurandrenolide SCHEMBL5042122 0.86 CYP3A4 (1.00) PGRNR3C1CYP3A4HIF1AAR
Flurandrenolide SCHEMBL13423594 0.86 CYP3A4 (1.00) PGRNR3C1CYP3A4HIF1AAR
Flurandrenolide SCHEMBL4694 0.86 CYP3A4 (1.00) PGRNR3C1CYP3A4HIF1AAR
Flurandrenolide SCHEMBL3692151 0.85 CYP3A4 (0.97) PGRNR3C1CYP3A4HIF1AAR
SCHEMBL10028415 0.83 PGR (0.85) PGRNR3C1CYP3A4HIF1AAR
Flunisolide SCHEMBL13026142 0.80 CYP3A4 (1.00) PGRNR3C1CYP3A4HIF1AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES PGR 1197/4885NR3C1 310/4885CYP3A4 1894/4885

“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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