SCHEMBL8904914

SCHEMBL8904914

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

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.86
▸ CYP3A4 P08684 6/20 0.86
▸ PGR P06401 6/20 0.86
▸ AR P10275 5/20 0.86
▸ USP2 O75604 1/20 0.86
▸ HIF1A Q16665 6/20 0.71
▸ LMNA P02545 5/20 0.71
▸ NR1I2 O75469 1/20 0.71
▸ HSD17B10 Q99714 2/20 0.57
▸ MAPT P10636 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.56
▸ ABCB11 O95342 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HRH1 P35367 1/20 0.53

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
SCHEMBL12323211 0.93 NR3C1 (0.86) NR3C1CYP3A4PGRARUSP2
Halcinonide SCHEMBL4335 0.92 NR3C1 (1.00) NR3C1CYP3A4PGRARUSP2
Halcinonide SCHEMBL13026159 0.92 NR3C1 (1.00) NR3C1CYP3A4PGRARUSP2
Halcinonide SCHEMBL10019829 0.92 NR3C1 (1.00) NR3C1CYP3A4PGRARUSP2
Halcinonide SCHEMBL4336 0.92 NR3C1 (1.00) NR3C1CYP3A4PGRARUSP2
Halcinonide SCHEMBL24015431 0.92 NR3C1 (1.00) NR3C1CYP3A4PGRARUSP2
Halcinonide SCHEMBL5489567 0.92 NR3C1 (1.00) NR3C1CYP3A4PGRARUSP2
Halcinonide SCHEMBL5188866 0.92 NR3C1 (1.00) NR3C1CYP3A4PGRARUSP2
Halcinonide SCHEMBL8467031 0.92 NR3C1 (1.00) NR3C1CYP3A4PGRARUSP2
Halcinonide SCHEMBL7861670 0.92 NR3C1 (1.00) NR3C1CYP3A4PGRARUSP2

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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
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
US-5614514-A Steroid esters AKTIEBOLAGET ASTRA (SE) 1997-03-25 — — 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 NR3C1 310/4885CYP3A4 1894/4885PGR 1197/4885

“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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