SCHEMBL13653728

SCHEMBL13653728

CCOP(=O)(COCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C)OCC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 7/20 0.73
▸ LMNA P02545 6/20 0.73
▸ CYP3A4 P08684 5/20 0.73
▸ NR3C1 P04150 5/20 0.73
▸ PGR P06401 4/20 0.73
▸ NR1I2 O75469 1/20 0.73
▸ MAPT P10636 3/20 0.66
▸ NPSR1 Q6W5P4 2/20 0.66
▸ CNR1 P21554 1/20 0.66
▸ KCNH2 Q12809 1/20 0.66
▸ USP2 O75604 1/20 0.66
▸ AR P10275 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CHRM1 P11229 2/20 0.55
▸ CHRM4 P08173 1/20 0.55
▸ CHRM5 P08912 1/20 0.55
▸ CHRM3 P20309 1/20 0.55
▸ HRH1 P35367 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
SCHEMBL13985471 0.92 LMNA (0.81) HIF1ALMNACYP3A4NR3C1PGR
Triamcinolone Acetonide Phosphoric Acid SCHEMBL8856248 0.89 HIF1A (0.79) HIF1ALMNACYP3A4NR3C1PGR
Triamcinolone Acetonide Phosphoric Acid SCHEMBL6544867 0.88 HIF1A (0.78) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL14045209 0.88 HIF1A (0.56) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL14114135 0.87 LMNA (0.83) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13524485 0.87 LMNA (0.83) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13653730 0.87 HIF1A (0.71) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL12463320 0.87 HIF1A (0.78) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL15233739 0.86 LMNA (0.87) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL8672967 0.86 HIF1A (0.72) HIF1ALMNACYP3A4NR3C1PGR

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 6 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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 — — US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 — — US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 — — 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 (2 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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG HIF1A 3718/4885LMNA 4759/4885CYP3A4 3919/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES HIF1A 1199/4885LMNA 2591/4885CYP3A4 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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