SCHEMBL13654495

SCHEMBL13654495

CC1O[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 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.63
▸ NR3C1 P04150 7/20 0.63
▸ CYP3A4 P08684 5/20 0.63
▸ NR3C2 P08235 5/20 0.63
▸ PGR P06401 4/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ NFKB1 P19838 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ SHBG P04278 1/20 0.63
▸ SERPINA6 P08185 1/20 0.63
▸ ABCB11 O95342 2/20 0.57
▸ AR P10275 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ LMNA P02545 2/20 0.56
▸ BLM P54132 2/20 0.56
▸ ABCC3 O15438 1/20 0.56
▸ ABCC4 O15439 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
SCHEMBL2016044 0.89 NR3C1 (0.73) HIF1ANR3C1CYP3A4NR3C2PGR
SCHEMBL9487988 0.89 HIF1A (0.59) HIF1ANR3C1CYP3A4NR3C2PGR
SCHEMBL7735905 0.87 HIF1A (0.66) HIF1ANR3C1CYP3A4NR3C2PGR
SCHEMBL2020622 0.87 HIF1A (0.73) HIF1ANR3C1CYP3A4NR3C2PGR
SCHEMBL13654491 0.87 NR3C1 (0.54) HIF1ANR3C1CYP3A4NR3C2PGR
SCHEMBL13524231 0.83 NR3C1 (0.79) HIF1ANR3C1CYP3A4NR3C2PGR
SCHEMBL21302924 0.83 NR3C1 (0.79) HIF1ANR3C1CYP3A4NR3C2PGR
SCHEMBL22601658 0.83 NR3C1 (0.79) HIF1ANR3C1CYP3A4NR3C2PGR
SCHEMBL30777667 0.83 NR3C1 (0.79) HIF1ANR3C1CYP3A4NR3C2PGR
SCHEMBL27071472 0.83 NR3C1 (0.79) HIF1ANR3C1CYP3A4NR3C2PGR

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-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 3718/4885NR3C1 1066/4885CYP3A4 3919/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES HIF1A 1199/4885NR3C1 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.

Send feedback