SCHEMBL5800842

SCHEMBL5800842

Cc1ccc2c(NCC(O)(CC(C)(C)c3ccc(Cl)cc3O)C(F)(F)F)ccnc2n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.52
PGR P06401 4/20 0.39
NR3C2 P08235 2/20 0.35
CCR1 P32246 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
IGF1R P08069 1/20 0.33
FERMT2 Q96AC1 1/20 0.33

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
SCHEMBL5778471 0.89 NR3C1 (0.54) NR3C1PGRNR3C2IGF1R
SCHEMBL5800333 0.84 NR3C1 (0.73) NR3C1PGRNR3C2
SCHEMBL5778549 0.79 NR3C1 (0.74) NR3C1PGRNR3C2
SCHEMBL4826359 0.76 NR3C1 (0.59) NR3C1PGRNR3C2
SCHEMBL6404639 0.76 NR3C1 (0.47) NR3C1PGRNR3C2
SCHEMBL5800297 0.73 NR3C1 (0.48) NR3C1PGRNR3C2
SCHEMBL4627623 0.71 NR3C1 (0.48) NR3C1PGRCCR1
SCHEMBL4627665 0.71 NR3C1 (0.46) NR3C1PGRNR3C2
SCHEMBL4821296 0.71 NR3C1 (0.74) NR3C1PGRNR3C2CYP1A2
SCHEMBL4817558 0.71 NR3C1 (0.66) NR3C1PGRNR3C2

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 1483/4885PGR 3289/4885NR3C2 872/4885

“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.