SCHEMBL5700451

SCHEMBL5700451

CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)C(F)(F)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.66
AR P10275 5/20 0.66
LMNA P02545 5/20 0.66
SLC6A4 P31645 4/20 0.66
CYP3A4 P08684 4/20 0.66
ESR1 P03372 4/20 0.66
SHBG P04278 4/20 0.66
ABCB11 O95342 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
NR3C1 P04150 2/20 0.66
CYP2C19 P33261 2/20 0.66
POLB P06746 1/20 0.66
NR3C2 P08235 1/20 0.59
OPRM1 P35372 2/20 0.53
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
ADRA2A P08913 1/20 0.50
SLC22A1 O15245 1/20 0.49

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
SCHEMBL5700449 1.00 PGR (0.66) PGRARLMNASLC6A4CYP3A4
SCHEMBL5700506 0.92 PGR (0.68) PGRARLMNASLC6A4CYP3A4
SCHEMBL5700503 0.92 PGR (0.68) PGRARLMNASLC6A4CYP3A4
SCHEMBL5700301 0.85 AR (0.61) PGRARLMNASLC6A4CYP3A4
SCHEMBL5700305 0.85 AR (0.61) PGRARLMNASLC6A4CYP3A4
SCHEMBL5700112 0.85 CYP3A4 (0.65) PGRARLMNASLC6A4CYP3A4
Norbolethone SCHEMBL548124 0.83 PGR (0.73) PGRARLMNASLC6A4CYP3A4
SCHEMBL11861988 0.83 PGR (0.73) PGRARLMNASLC6A4CYP3A4
Norbolethone SCHEMBL6716010 0.83 PGR (0.73) PGRARLMNASLC6A4CYP3A4
Norbolethone SCHEMBL16755266 0.83 PGR (0.73) PGRARLMNASLC6A4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322660-B1 17ALPHA-FLUOROALKYL STEROIDS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS SCHERING AG (DE) 2006-08-30 EP claimed
US-20040024231-A1 17Alpha fluoroalkyl steroids, method for producing the same and pharmaceutical compositions containing said compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-05 US claimed
EP-1322660-B1 17ALPHA-FLUOROALKYL STEROIDS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS SCHERING AG (DE) 2006-08-30 EP disclosed
US-20040024231-A1 17Alpha fluoroalkyl steroids, method for producing the same and pharmaceutical compositions containing said compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-05 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 (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-20040024231-A1 17Alpha fluoroalkyl steroids, method for producing the same and pharmaceutical compositions containing said compounds CYP17A1, CYP21A2, NR5A1 PGR 827/4885AR 60/4885LMNA 3272/4885

“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.