SCHEMBL5700376

SCHEMBL5700376

C[C@]12C=CC(=O)CC1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(O)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.41
SHBG P04278 3/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NR3C1 P04150 2/20 0.37
PGR P06401 2/20 0.37
ABCB11 O95342 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AGTR1 P30556 1/20 0.37
PTGS2 P35354 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 2/20 0.36
GUSB P08236 1/20 0.36

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
SCHEMBL5700374 1.00 AR (0.41) ARSHBGMAPK1POLBLMNA
SCHEMBL5700105 0.91 SHBG (0.39) ARSHBGMAPK1POLBLMNA
SCHEMBL5700101 0.91 SHBG (0.39) ARSHBGMAPK1POLBLMNA
SCHEMBL4115264 0.85 SHBG (0.55) ARSHBGMAPK1POLBLMNA
SCHEMBL13855720 0.85 SHBG (0.55) ARSHBGMAPK1POLBLMNA
SCHEMBL28827028 0.85 SHBG (0.55) ARSHBGMAPK1POLBLMNA
SCHEMBL4115261 0.85 SHBG (0.55) ARSHBGMAPK1POLBLMNA
SCHEMBL28060038 0.85 SHBG (0.55) ARSHBGMAPK1POLBLMNA
SCHEMBL13558383 0.81 SERPINA6 (0.52) ARSHBGMAPK1POLBLMNA
SCHEMBL5909302 0.81 SERPINA6 (0.52) ARSHBGMAPK1POLBLMNA

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 6 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
EP-1322660-A2 17ALPHA-FLUOROALKYL STEROIDS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS Schering AG (DE) 2003-07-02 EP disclosed
WO-2002026759-A2 17α FLUOROALKYL STEROIDS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS SCHERING AG (DE) 2002-04-04 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-20040024231-A1 17Alpha fluoroalkyl steroids, method for producing the same and pharmaceutical compositions containing said compounds CYP17A1, CYP21A2, NR5A1 AR 60/4885SHBG 43/4885MAPK1 2618/4885

“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.