SCHEMBL6314416

SCHEMBL6314416

O=S(=O)(O)CCCCCCC(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
CES1 P23141 5/20 0.33
FAAH O00519 3/20 0.30
CES2 O00748 2/20 0.30
PTGS1 P23219 1/20 0.30
PDE4A P27815 1/20 0.30
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL5827904 0.92 APP (0.37) APPCES1PTGS1PDE4ALMNA
SCHEMBL31091256 0.90 APP (0.35) APP
1,4-Butanediol SCHEMBL2058127 0.88 APP (0.31) APP
1,3-Propanediol SCHEMBL2057583 0.88 APP (0.31) APP
SCHEMBL18284250 0.88 APP (0.39) APPCES1FAAHCES2PTGS1
SCHEMBL2058000 0.86 CES1 (0.38) APPCES1FAAHCES2
SCHEMBL27621286 0.86 APP (0.38) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL15670443 0.85 APP (0.41) APPCES1PTGS1PDE4ALMNA
SCHEMBL27864713 0.85 APP (0.34) APP
SCHEMBL781199 0.83 PTGS1 (0.35) APPPTGS1PDE4ALMNASLC6A6

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-6956031-B2 11β-Substituted 19-nor-17-α-pregna-1,3,5(10)-trien-17β-ols with a 21,16α-lactone ring SCHERING AKTIENGESELLSCHAFT (DE) 2005-10-18 US disclosed
EP-1490393-A1 11BETA-SUBSTITUTED 19-NOR-17ALPHA-PREGNA-1,3,5(10)-TRIEN-17BETA-OLS WITH A 21,16ALPHA-LACTONE RING Schering AG (DE) 2004-12-29 EP disclosed
US-20040014735-A1 11-Beta substituted 19-nor-17-alpha-pregna-1,3,5(10)-trien-17beta-ols with a 21,16alpha-lactone ring SCHERING AG (DE) 2004-01-22 US disclosed
WO-2003080642-A1 11BETA-SUBSTITUTED 19-NOR-17ALPHA-PREGNA-1,3,5(10)-TRIEN-17BETA-OLS WITH A 21,16ALPHA-LACTONE RING SCHERING AG (DE) 2003-10-02 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-20040014735-A1 11-Beta substituted 19-nor-17-alpha-pregna-1,3,5(10)-trien-17beta-ols with a 21,16alpha-lactone ring HSD17B11, CYP19A1, NR5A1 APP 4037/4885CES1 167/4885FAAH 1283/4885

“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.