SCHEMBL5026430

SCHEMBL5026430

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nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 1.00
SHBG P04278 7/20 0.69
SERPINA6 P08185 2/20 0.69
SLC22A1 O15245 1/20 0.69
ALDH1A1 P00352 1/20 0.69
THRB P10828 1/20 0.69
PGR P06401 5/20 0.55
NR3C2 P08235 2/20 0.55
CYP19A1 P11511 1/20 0.50
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL25863609 1.00 AR (1.00) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL1255845 1.00 AR (1.00) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL29880093 1.00 AR (1.00) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL5188310 1.00 AR (1.00) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24102494 1.00 AR (1.00) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL14342101 1.00 AR (1.00) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24103284 1.00 AR (1.00) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24103286 1.00 AR (1.00) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL223290 1.00 AR (1.00) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL199806 1.00 AR (1.00) 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 8 patents. 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-1427748-B1 17ALPHA-HYDROXY-14BETA-STEROIDS WITH HORMONAL EFFECT ORGANON NV (NL) 2008-05-14 EP disclosed
US-7169769-B2 17α-hydroxy-14β-steroids with hormonal effect AKZO NOBEL N.V. (NL) 2007-01-30 US disclosed
US-6949531-B2 14 β, 16, 17-methylene steroids as novel androgens AKZO NOBEL N.V. (NL) 2005-09-27 US disclosed
US-20040259849-A1 17Alpha-hydroxy-14Beta-steroids with hormonal effect MERCK SHARP & DOHME B.V. (NL) 2004-12-23 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040259849-A1 17Alpha-hydroxy-14Beta-steroids with hormonal effect CYP17A1, HSD17B11, NR5A1 AR 17/4885SHBG 4/4885SERPINA6 222/4885
US-20040030165-A1 14 Beta, 16, 17-methylene steroids as novel androgens CYP17A1, HSD17B7, AR AR 3/4885SHBG 15/4885SERPINA6 194/4885

“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.