SCHEMBL20851741

SCHEMBL20851741

C#C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3C(=C)C[C@@]21CCC

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 8/20 0.86
PGR P06401 7/20 0.86
ESR1 P03372 6/20 0.86
AR P10275 5/20 0.86
OPRM1 P35372 3/20 0.86
SLC6A4 P31645 6/20 0.63
LMNA P02545 5/20 0.63
NR3C1 P04150 5/20 0.63
CYP3A4 P08684 4/20 0.63
ABCB11 O95342 4/20 0.63
CYP2C19 P33261 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
POLB P06746 1/20 0.63
NR1I2 O75469 3/20 0.61
ADORA3 P0DMS8 3/20 0.61
CHRM2 P08172 2/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A3 Q01959 2/20 0.61
PDE4D Q08499 2/20 0.61

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
Etonogestrel SCHEMBL1649327 0.93 SHBG (1.00) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL6462179 0.93 SHBG (1.00) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL19510085 0.93 SHBG (1.00) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL117703 0.93 SHBG (1.00) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL484265 0.93 SHBG (1.00) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL14946854 0.93 SHBG (1.00) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL28648883 0.92 SHBG (0.98) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL14941286 0.86 SHBG (0.87) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL5729815 0.85 SHBG (0.81) SHBGPGRESR1AROPRM1
Etonogestrel SCHEMBL6150744 0.85 SHBG (0.81) SHBGPGRESR1AROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034716-B2 Process and new intermediates for the preparation of 11-methylene steroids CRYSTAL PHARMA, S.A.U. (ES) 2021-06-15 US disclosed
US-20190092807-A1 PROCESS AND NEW INTERMEDIATES FOR THE PREPARATION OF 11-METHYLENE STEROIDS CURIA SPAIN, S.A.U. (ES) 2019-03-28 US 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-11034716-B2 Process and new intermediates for the preparation of 11-methylene steroids CYP17A1, HSD17B11, CYP19A1 SHBG 25/4885PGR 38/4885ESR1 99/4885
US-20190092807-A1 PROCESS AND NEW INTERMEDIATES FOR THE PREPARATION OF 11-METHYLENE STEROIDS CYP19A1, CYP17A1, HSD17B11 SHBG 31/4885PGR 29/4885ESR1 79/4885

“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.