SCHEMBL6841026

SCHEMBL6841026

CCC12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.50
▸ PGR P06401 9/20 0.50
▸ NR3C2 P08235 3/20 0.50
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MCL1 Q07820 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6841025 1.00 AR (0.50) ARPGRNR3C2LMNAMAPT
SCHEMBL6692511 0.86 AR (0.50) ARPGRNR3C2LMNAMAPT
SCHEMBL24711588 0.86 AR (0.50) ARPGRNR3C2LMNAMAPT
SCHEMBL11862137 0.82 AR (0.52) ARPGRNR3C2LMNAMAPT
SCHEMBL6692321 0.82 AR (0.52) ARPGRNR3C2LMNAMAPT
SCHEMBL6841943 0.79 AR (0.55) ARPGRNR3C2LMNAALDH1A1
SCHEMBL6841944 0.79 AR (0.55) ARPGRNR3C2LMNAALDH1A1
SCHEMBL4108635 0.77 AR (0.55) ARPGRNR3C2LMNAALDH1A1
SCHEMBL13400873 0.73 AR (0.38) ARPGRNR3C2
SCHEMBL6843518 0.73 AR (0.38) ARPGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209853-A1 Orally active 7.alpha.-alkyl androgens AKZO NOBEL N.V. (NL) 2004-10-21 — — US disclosed
US-6780854-B2 MALE CONTRACEPTION AKZO NOBEL NV (NL) 2004-08-24 — — US disclosed
US-6756366-B1 19-NORTESTOSTERONE DERIVATIVES; ORALLY ACTIVE; HIGH POTENCY AKZO NOBEL N.V. (NL) 2004-06-29 — — US disclosed
EP-1203011-B1 ORALLY ACTIVE ANDROGENS AKZO NOBEL NV (NL) 2004-01-02 — — EP disclosed
EP-1212345-B1 ORALLY ACTIVE 7-ALPHA-ALKYL ANDROGENS AKZO NOBEL NV (NL) 2003-08-06 — — EP disclosed
US-20030087886-A1 Orally active androgens LOOZEN HUBERT JAN JOZEF (NL) 2003-05-08 — — US disclosed
US-6541465-B2 Delta 14 derivatives of 19- nortestosterone, useful for the preparation of a medicine for treating androgen insufficiency AKZO NOBEL N.V. (NL) 2003-04-01 — — US disclosed
EP-1212345-A2 ORALLY ACTIVE 7.ALPHA.-ALKYL ANDROGENS Akzo Nobel N.V. (NL) 2002-06-12 — — EP disclosed
EP-1203011-A1 ORALLY ACTIVE ANDROGENS Akzo Nobel N.V. (NL) 2002-05-08 — — EP disclosed
US-20020022609-A1 Orally active androgens LOOZEN HUBERT JAN JOZEF (NL) 2002-02-21 — — US 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
WO-2000059920-A2 ORALLY ACTIVE 7.ALPHA.-ALKYL ANDROGENS AKZO NOBEL N.V. (NL) 2000-10-12 — — 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 (3 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 2/4885PGR 86/4885NR3C2 16/4885
US-20020022609-A1 Orally active androgens NR5A1, AR, CYP17A1 AR 2/4885PGR 84/4885NR3C2 16/4885
US-20040209853-A1 Orally active 7.alpha.-alkyl androgens NR5A1, AR, SHBG AR 2/4885PGR 151/4885NR3C2 28/4885

“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.

Send feedback