SCHEMBL4835113

SCHEMBL4835113

COc1cc(F)ccc1C(C)(C)CC(O)(C=Nc1cc(F)cc2nc(C)ncc12)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.39
NR3C2 P08235 12/20 0.38
CYP3A4 P08684 1/20 0.37
PGR P06401 4/20 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
SCHEMBL4835100 1.00 NR3C1 (0.39) NR3C1NR3C2CYP3A4PGR
SCHEMBL4835122 1.00 NR3C1 (0.39) NR3C1NR3C2CYP3A4PGR
SCHEMBL6407247 0.93 NR3C1 (0.45) NR3C1NR3C2CYP3A4PGR
SCHEMBL5774880 0.93 NR3C1 (0.45) NR3C1NR3C2CYP3A4PGR
SCHEMBL6407246 0.93 NR3C1 (0.45) NR3C1NR3C2CYP3A4PGR
SCHEMBL5707774 0.85 NR3C1 (0.31) NR3C1NR3C2
SCHEMBL3538722 0.85 NR3C1 (0.35) NR3C1NR3C2PGR
SCHEMBL3538726 0.85 NR3C1 (0.35) NR3C1NR3C2PGR
SCHEMBL3538725 0.85 NR3C1 (0.35) NR3C1NR3C2PGR
SCHEMBL3532798 0.84 NR3C1 (0.32) NR3C1NR3C2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442794-B2 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2008-10-28 US disclosed
EP-1670778-B1 REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AG (DE) 2006-11-15 EP disclosed
EP-1670778-A1 REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS Schering Aktiengesellschaft (DE) 2006-06-21 EP disclosed
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-06-16 US disclosed
WO-2005035518-A1 REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 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-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents TNF, PTGES, PTGES2 NR3C1 190/4885NR3C2 221/4885CYP3A4 112/4885

“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.