SCHEMBL13694732

SCHEMBL13694732

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccoc1)C(=O)CCl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 16/20 0.58
▸ PGR P06401 4/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ NR1I2 O75469 1/20 0.58
▸ CNR1 P21554 1/20 0.58
▸ CYP3A4 P08684 3/20 0.51
▸ ABCB11 O95342 2/20 0.51
▸ AR P10275 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ SLCO1B3 Q9NPD5 1/20 0.51
▸ SLCO1B1 Q9Y6L6 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.49
▸ TNF P01375 1/20 0.49
▸ IL6 P05231 1/20 0.49

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
SCHEMBL11581859 0.90 NR3C1 (0.60) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11580265 0.90 NR3C1 (0.60) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11586331 0.87 NR3C1 (0.66) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11586335 0.87 NR3C1 (0.66) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL13659043 0.87 NR3C1 (0.68) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL6906058 0.87 NR3C1 (0.68) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11418169 0.85 NR3C1 (0.69) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11418175 0.85 NR3C1 (0.69) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11586775 0.83 NR3C1 (0.63) NR3C1PGRLMNAHIF1ANR1I2
SCHEMBL11586778 0.83 NR3C1 (0.63) NR3C1PGRLMNAHIF1ANR1I2

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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 — — 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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG NR3C1 1066/4885PGR 3296/4885LMNA 4759/4885

“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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