SCHEMBL6692129

SCHEMBL6692129

COC(=O)CCCC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.76
▸ AR P10275 7/20 0.76
▸ NR3C1 P04150 7/20 0.76
▸ CYP3A4 P08684 7/20 0.76
▸ LMNA P02545 6/20 0.76
▸ SMN1; SMN2 Q16637 5/20 0.76
▸ NPSR1 Q6W5P4 4/20 0.76
▸ CYP2C9 P11712 3/20 0.76
▸ HIF1A Q16665 3/20 0.76
▸ MEN1 O00255 3/20 0.76
▸ KMT2A Q03164 3/20 0.76
▸ MAPK1 P28482 3/20 0.76
▸ ABCB11 O95342 2/20 0.76
▸ POLB P06746 1/20 0.76
▸ CHRM1 P11229 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ CHRM2 P08172 3/20 0.61
▸ ADORA3 P0DMS8 2/20 0.61
▸ USP2 O75604 2/20 0.61
▸ THRB P10828 1/20 0.61

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
SCHEMBL6692133 1.00 PGR (0.76) PGRARNR3C1CYP3A4LMNA
SCHEMBL11511139 0.94 PGR (0.78) PGRARNR3C1CYP3A4LMNA
Megestrol Acetate SCHEMBL8817569 0.87 AR (1.00) PGRARNR3C1CYP3A4LMNA
Megestrol Acetate SCHEMBL745 0.87 AR (1.00) PGRARNR3C1CYP3A4LMNA
Megestrol Acetate SCHEMBL14071675 0.87 AR (1.00) PGRARNR3C1CYP3A4LMNA
Megestrol Acetate SCHEMBL13941350 0.87 AR (1.00) PGRARNR3C1CYP3A4LMNA
Megestrol Acetate SCHEMBL13660184 0.87 AR (1.00) PGRARNR3C1CYP3A4LMNA
Megestrol Acetate SCHEMBL190902 0.87 AR (1.00) PGRARNR3C1CYP3A4LMNA
Megestrol Acetate SCHEMBL21281326 0.87 AR (1.00) PGRARNR3C1CYP3A4LMNA
Megestrol Acetate SCHEMBL12998544 0.87 AR (1.00) PGRARNR3C1CYP3A4LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use ENDORECHERCHE, INC. 2004-04-29 — — US disclosed
EP-1321146-A2 Inhibitors of type 5 and 3 17beta-hydroxysteroid dehydrogenase and methods for their use Endorecherche Inc. (CA) 2003-06-25 — — EP disclosed
US-6541463-B1 17-spirolactone derivatives of steroids ENDORECHERCHE, INC. (CA) 2003-04-01 — — US disclosed
EP-1094798-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17beta-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE Endorecherche Inc. (CA) 2001-05-02 — — EP disclosed
WO-1999046279-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17β-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE ENDORECHERCHE, INC. (CA) 1999-09-16 — — WO 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-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use HSD17B11, HSD17B3, HSD17B1 PGR 521/4885AR 278/4885NR3C1 458/4885

“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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