SCHEMBL4176728

SCHEMBL4176728

COc1c(O)ccc2c1-c1ccc3c(c1[C@H]([C@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 1.00
▸ NR3C1 P04150 17/20 0.78
▸ NR3C2 P08235 1/20 0.58
▸ AR P10275 1/20 0.58

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
SCHEMBL4177415 1.00 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL4182771 0.92 PGR (0.85) PGRNR3C1NR3C2AR
SCHEMBL6291160 0.90 PGR (0.82) PGRNR3C1
SCHEMBL6994720 0.89 PGR (0.80) PGRNR3C1NR3C2AR
SCHEMBL6291626 0.89 PGR (0.80) PGRNR3C1NR3C2AR
SCHEMBL6995370 0.89 PGR (0.80) PGRNR3C1NR3C2AR
SCHEMBL7002320 0.89 PGR (0.80) PGRNR3C1NR3C2AR
SCHEMBL6994556 0.89 PGR (0.80) PGRNR3C1NR3C2AR
SCHEMBL6991539 0.89 PGR (0.80) PGRNR3C1NR3C2AR
SCHEMBL6994723 0.89 PGR (0.80) PGRNR3C1NR3C2AR

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
EP-1053239-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2003-01-08 — — EP claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 — — 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA PGR 44/4885NR3C1 21/4885NR3C2 12/4885

“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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