SCHEMBL5023909

SCHEMBL5023909

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC2(O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 9/20 0.81
NR3C1 P04150 5/20 0.81
PGR P06401 4/20 0.81
ALDH1A1 P00352 3/20 0.81
ADRA1A P35348 1/20 0.81
HTR2B P41595 1/20 0.81
LMNA P02545 8/20 0.74
SERPINA6 P08185 7/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
BLM P54132 4/20 0.74
CYP2C19 P33261 3/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
MAPT P10636 2/20 0.74
ADORA3 P0DMS8 1/20 0.74
MAPK3 P27361 1/20 0.74
SLC6A3 Q01959 1/20 0.74
TSHR P16473 5/20 0.72
AR P10275 3/20 0.72
HIF1A Q16665 2/20 0.72

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
SCHEMBL1899598 1.00 SHBG (0.81) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL5023902 1.00 SHBG (0.81) SHBGNR3C1PGRALDH1A1ADRA1A
Methyltestosterone SCHEMBL13575766 0.90 SHBG (1.00) SHBGNR3C1PGRALDH1A1ADRA1A
Methyltestosterone SCHEMBL5021655 0.90 SHBG (1.00) SHBGNR3C1PGRALDH1A1ADRA1A
Methyltestosterone SCHEMBL4442874 0.90 SHBG (1.00) SHBGNR3C1PGRALDH1A1ADRA1A
Methyltestosterone SCHEMBL18657 0.90 SHBG (1.00) SHBGNR3C1PGRALDH1A1ADRA1A
Methyltestosterone SCHEMBL18891626 0.90 SHBG (1.00) SHBGNR3C1PGRALDH1A1ADRA1A
Methyltestosterone SCHEMBL6472960 0.90 SHBG (1.00) SHBGNR3C1PGRALDH1A1ADRA1A
Methyltestosterone SCHEMBL13965283 0.90 SHBG (1.00) SHBGNR3C1PGRALDH1A1ADRA1A
Methyltestosterone SCHEMBL13768123 0.90 SHBG (1.00) SHBGNR3C1PGRALDH1A1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129357-B1 AFFINITY MEDICANT CONJUGATES AF CHEMICALS LLC (US) 2023-08-23 EP disclosed
EP-3860642-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) St. Anna Kinderkrebsforschung (AT) 2021-08-11 EP disclosed
EP-3860643-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) St. Anna Kinderkrebsforschung (AT) 2021-08-11 EP disclosed
US-20210077425-A1 AFFINITY MEDICANT CONJUGATE AF CHEMICALS, LLC (US) 2021-03-18 US disclosed
WO-2020070289-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) ST. ANNA KINDERKREBSFORSCHUNG (AT) 2020-04-09 WO disclosed
WO-2020070290-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) ST. ANNA KINDERKREBSFORSCHUNG (AT) 2020-04-09 WO disclosed
US-9980926-B1 Affinity medicant conjugate AF CHEMICALS, LLC (US) 2018-05-29 US disclosed
CN-101785775-B Pharmaceutical application of 15- or 16- substituted testosterone analogues PANTARHEI BIOSCIENCE BV 2015-03-25 CN disclosed
CN-1694710-B Pharmaceutical use of 15-or 16-substituted testosterone analogues PANTARHEI BIOSCIENCE BV 2012-09-05 CN disclosed
CN-101785775-A Pharmaceutical application of 15- or 16- substituted testosterone analogues PANTARHEI BIOSCIENCE BV 2010-07-28 CN 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
CN-1694710-A Pharmaceutical use of 15-or 16-substituted testosterone analogues PANTARHEI BIOSCIENCE BV (NL) 2005-11-09 CN disclosed
US-20040259849-A1 17Alpha-hydroxy-14Beta-steroids with hormonal effect MERCK SHARP & DOHME B.V. (NL) 2004-12-23 US disclosed
EP-1427748-A1 17ALPHA-HYDROXY-14BETA-STEROIDS WITH HORMONAL EFFECT Akzo Nobel N.V. (NL) 2004-06-16 EP disclosed
WO-2003022864-A1 17ALPHA-HYDROXY-14BETA-STEROIDS WITH HORMONAL EFFECT AKZO NOBEL N.V. (NL) 2003-03-20 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 (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-20040259849-A1 17Alpha-hydroxy-14Beta-steroids with hormonal effect CYP17A1, HSD17B11, NR5A1 SHBG 4/4885NR3C1 38/4885PGR 67/4885

“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.