SCHEMBL6848899

SCHEMBL6848899

C=C[C@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.55
▸ NR3C2 P08235 1/20 0.55
▸ PGR P06401 4/20 0.52
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SERPINA6 P08185 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ SHBG P04278 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ESR1 P03372 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BRCA1 P38398 1/20 0.42

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
SCHEMBL3315934 1.00 AR (0.55) ARNR3C2PGRMAPTLMNA
SCHEMBL6464742 1.00 AR (0.55) ARNR3C2PGRMAPTLMNA
Trestolone Acetate SCHEMBL25863451 0.86 AR (0.70) ARNR3C2PGRMAPTLMNA
Trestolone Acetate SCHEMBL12101463 0.86 AR (0.70) ARNR3C2PGRMAPTLMNA
Trestolone Acetate SCHEMBL17302814 0.86 AR (0.70) ARNR3C2PGRMAPTLMNA
Trestolone Acetate SCHEMBL7779251 0.86 AR (0.70) ARNR3C2PGRMAPTLMNA
Trestolone Acetate SCHEMBL2787569 0.86 AR (0.70) ARNR3C2PGRMAPTLMNA
Trestolone Acetate SCHEMBL17302820 0.86 AR (0.70) ARNR3C2PGRMAPTLMNA
Trestolone Acetate SCHEMBL17302787 0.86 AR (0.70) ARNR3C2PGRMAPTLMNA
SCHEMBL5026470 0.84 AR (0.72) ARNR3C2PGRMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780854-B2 MALE CONTRACEPTION AKZO NOBEL NV (NL) 2004-08-24 — — US disclosed
EP-1203011-B1 ORALLY ACTIVE ANDROGENS AKZO NOBEL NV (NL) 2004-01-02 — — EP disclosed
US-20030087886-A1 Orally active androgens LOOZEN HUBERT JAN JOZEF (NL) 2003-05-08 — — US disclosed
EP-1203011-A1 ORALLY ACTIVE ANDROGENS Akzo Nobel N.V. (NL) 2002-05-08 — — EP disclosed
US-6313108-B1 TREATING ANDROGEN INSUFFICIENCY AKZO NOBEL N.V. (NL) 2001-11-06 — — US disclosed
WO-2001005806-A1 ORALLY ACTIVE ANDROGENS AKZO NOBEL N.V. (NL) 2001-01-25 — — 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-20030087886-A1 Orally active androgens NR5A1, AR, CYP17A1 AR 2/4885NR3C2 16/4885PGR 86/4885

“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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