SCHEMBL5026470

SCHEMBL5026470

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

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.72
SHBG P04278 2/20 0.64
SERPINA6 P08185 2/20 0.64
SLC22A1 O15245 1/20 0.64
ALDH1A1 P00352 1/20 0.64
THRB P10828 1/20 0.64
NR3C2 P08235 1/20 0.58
PGR P06401 4/20 0.57
ESR2 Q92731 2/20 0.50
CYP3A4 P08684 4/20 0.48
NR3C1 P04150 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL17302821 1.00 AR (0.72) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6841497 0.88 AR (0.71) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6836612 0.88 AR (0.71) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL13770461 0.88 AR (0.59) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL13770159 0.88 AR (0.59) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL13397510 0.88 AR (0.59) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL7699351 0.87 AR (0.70) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6836734 0.87 AR (0.70) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL7699350 0.87 AR (0.70) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6841437 0.87 AR (0.70) ARSHBGSERPINA6SLC22A1ALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343806-B1 METHYLENE STEROIDS AS NOVEL ANDROGENS ORGANON NV (NL) 2008-05-28 EP disclosed
EP-1237904-B1 14,15-BETA-METHYLENE SUBSTITUTED ANDROGENS AKZO NOBEL NV (NL) 2006-02-08 EP disclosed
US-6949531-B2 14 β, 16, 17-methylene steroids as novel androgens AKZO NOBEL N.V. (NL) 2005-09-27 US disclosed
US-6881728-B1 14-β, 17-α-hydroxymethylandrostane derivatives as androgens AKZO NOBEL N.V. (NL) 2005-04-19 US disclosed
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
US-20040030165-A1 14 Beta, 16, 17-methylene steroids as novel androgens MERCK SHARP & DOHME B.V. (NL) 2004-02-12 US disclosed
EP-1203011-B1 ORALLY ACTIVE ANDROGENS AKZO NOBEL NV (NL) 2004-01-02 EP disclosed
EP-1343806-A1 METHYLENE STEROIDS AS NOVEL ANDROGENS Akzo Nobel N.V. (NL) 2003-09-17 EP disclosed
WO-2002048171-A1 METHYLENE STEROIDS AS NOVEL ANDROGENS AKZO NOBEL N.V. (NL) 2002-06-20 WO 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
EP-1163259-A1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS Akzo Nobel N.V. (NL) 2001-12-19 EP disclosed
US-6313108-B1 TREATING ANDROGEN INSUFFICIENCY AKZO NOBEL N.V. (NL) 2001-11-06 US disclosed
WO-2001040255-A2 14,15-BETA-METHYLENE SUBSTITUTED ANDROGENS AKZO NOBEL N.V. (NL) 2001-06-07 WO 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
WO-2000053619-A1 14.BETA., 17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL N.V. (NL) 2000-09-14 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-20040030165-A1 14 Beta, 16, 17-methylene steroids as novel androgens CYP17A1, HSD17B7, AR AR 3/4885SHBG 15/4885SERPINA6 194/4885
US-20020022609-A1 Orally active androgens NR5A1, AR, CYP17A1 AR 2/4885SHBG 8/4885SERPINA6 274/4885
US-20040209853-A1 Orally active 7.alpha.-alkyl androgens NR5A1, AR, SHBG AR 2/4885SHBG 3/4885SERPINA6 466/4885

“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.