SCHEMBL5775583

SCHEMBL5775583

COc1ccc(C(C)(C)CC(O)(C=O)C(F)(F)F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.40
NR3C2 P08235 11/20 0.40
PGR P06401 4/20 0.40
HSD11B1 P28845 1/20 0.36
EPHX2 P34913 1/20 0.34

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
SCHEMBL3537352 0.86 NR3C1 (0.42) NR3C1NR3C2PGRHSD11B1EPHX2
SCHEMBL3532084 0.81 NR3C1 (0.47) NR3C1NR3C2PGR
SCHEMBL3529504 0.80 NR3C1 (0.46) NR3C1NR3C2PGR
SCHEMBL3533482 0.80 HSD11B1 (0.48) NR3C1HSD11B1
SCHEMBL331385 0.79 NR3C1 (0.39) NR3C1NR3C2PGR
SCHEMBL5778087 0.79 HSD11B1 (0.39) NR3C1NR3C2PGRHSD11B1
SCHEMBL5779746 0.78 NR3C1 (0.41) NR3C1NR3C2PGR
SCHEMBL3532217 0.78 NR3C1 (0.54) NR3C1NR3C2PGR
SCHEMBL3529041 0.78 NR3C1 (0.42) NR3C1NR3C2PGR
SCHEMBL27650712 0.77 PDK1 (0.43) NR3C2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638945-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2006-03-29 EP disclosed
US-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-04-28 US disclosed
WO-2005003098-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-13 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-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents IL1B, NFKBIA, BBOX1 NR3C1 1483/4885NR3C2 872/4885PGR 3289/4885

“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.