SCHEMBL5796840

SCHEMBL5796840

CC(C)(CC(O)(CNc1cccc2[nH]ncc12)C(F)(F)F)c1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.55
PGR P06401 3/20 0.49
NR3C2 P08235 1/20 0.42
AXL P30530 1/20 0.41
DHPS P49366 1/20 0.40
TRPV1 Q8NER1 6/20 0.39
TDO2 P48775 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL6403528 0.89 NR3C1 (0.63) NR3C1PGRAXLDHPSTRPV1
SCHEMBL5802391 0.88 NR3C1 (0.69) NR3C1PGRNR3C2TRPV1
SCHEMBL6410296 0.88 NR3C1 (0.59) NR3C1PGRNR3C2TRPV1
SCHEMBL5800297 0.88 NR3C1 (0.48) NR3C1PGRNR3C2DHPSTRPV1
SCHEMBL6409205 0.88 NR3C1 (0.48) NR3C1PGRNR3C2AXLDHPS
SCHEMBL6404771 0.87 NR3C1 (0.49) NR3C1PGRDHPSTRPV1HDAC1
SCHEMBL6405434 0.87 NR3C1 (0.52) NR3C1PGRAXLDHPSTRPV1
SCHEMBL5777416 0.87 NR3C1 (0.55) NR3C1PGRNR3C2
SCHEMBL5801258 0.84 NR3C1 (0.49) NR3C1PGRAXLDHPSTRPV1
SCHEMBL5801078 0.84 NR3C1 (0.52) NR3C1PGRDHPSTRPV1TDO2

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.