SCHEMBL9972609

SCHEMBL9972609

CC(C)(C)OC(=O)N1CCC[C@H]1CCCCCC(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
HSD17B10 Q99714 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE8B O95263 1/20 0.36
OPRD1 P41143 1/20 0.36
CHEK2 O96017 1/20 0.36
NPC1 O15118 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35

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
SCHEMBL9972616 1.00 ATM (0.40) ATMHSD17B10ALOX5APFEN1SMN1; SMN2
SCHEMBL16538867 0.89 ATM (0.37) ATMHSD17B10ALOX5APFEN1SMN1; SMN2
SCHEMBL16538787 0.89 ATM (0.40) ATMHSD17B10ALOX5APFEN1SMN1; SMN2
SCHEMBL16538597 0.89 ATM (0.40) ATMHSD17B10ALOX5APFEN1SMN1; SMN2
SCHEMBL16551792 0.88 ATM (0.37) ATMHSD17B10ALOX5APFEN1SMN1; SMN2
SCHEMBL16551819 0.88 ATM (0.37) ATMHSD17B10ALOX5APFEN1SMN1; SMN2
SCHEMBL16538727 0.86 ATM (0.40) ATMHSD17B10ALOX5APFEN1SMN1; SMN2
SCHEMBL16551798 0.86 ATM (0.40) ATMHSD17B10ALOX5APFEN1SMN1; SMN2
SCHEMBL16551813 0.86 ATM (0.40) ATMHSD17B10ALOX5APFEN1SMN1; SMN2
SCHEMBL16551796 0.86 ATM (0.40) ATMHSD17B10ALOX5APFEN1SMN1; SMN2

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
US-20120157421-A1 17Beta-Alkyl-17Alpha-oxy-estratrienes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 US disclosed
US-20120157421-A1 17Beta-Alkyl-17Alpha-oxy-estratrienes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 US disclosed
WO-2010139411-A2 17β-ALKYL-17α-OXY-ESTRATRIENES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-09 WO disclosed
EP-2258375-A1 17B-alkyl-17alpha-oxy-estratrienes Bayer Schering Pharma Aktiengesellschaft (DE) 2010-12-08 EP 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-20120157421-A1 17Beta-Alkyl-17Alpha-oxy-estratrienes CYP19A1, HSD17B11, CYP17A1 ATM 4763/4885HSD17B10 58/4885ALOX5AP 135/4885

“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.