SCHEMBL13654493

SCHEMBL13654493

CC1O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6n[nH]cc6C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 15/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ PGR P06401 3/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ ABCC3 O15438 1/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ IL5 P05113 1/20 0.51
▸ NR3C2 P08235 1/20 0.51
▸ AR P10275 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL13524559 0.86 NR3C1 (0.54) NR3C1CYP3A4PGRHIF1AABCC3
SCHEMBL13524558 0.83 NR3C1 (0.57) NR3C1CYP3A4PGRHIF1AABCC3
SCHEMBL13654495 0.83 HIF1A (0.63) NR3C1CYP3A4PGRHIF1AABCC3
SCHEMBL13654488 0.82 NR3C1 (0.61) NR3C1CYP3A4PGRHIF1AABCC3
SCHEMBL13654485 0.81 NR3C1 (0.61) NR3C1CYP3A4PGRHIF1AABCC3
SCHEMBL13654494 0.81 NR3C1 (0.55) NR3C1CYP3A4PGRHIF1AABCC3
SCHEMBL13654501 0.81 NR3C1 (0.47) NR3C1CYP3A4PGRHIF1AABCC3
SCHEMBL13654499 0.80 NR3C1 (0.55) NR3C1CYP3A4PGRHIF1AABCC3
SCHEMBL13654503 0.79 NR3C1 (0.46) NR3C1CYP3A4PGRHIF1AABCC3
SCHEMBL13654487 0.79 NR3C1 (0.66) NR3C1

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 NR3C1 1066/4885CYP3A4 3919/4885PGR 3296/4885
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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