SCHEMBL5801258

SCHEMBL5801258

CC(C)(CC(O)(CNc1cccc2[nH]ncc12)C(F)(F)F)c1ccc(O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.49
PGR P06401 2/20 0.49
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
TRPV1 Q8NER1 7/20 0.38
DHPS P49366 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
AXL P30530 1/20 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
SCHEMBL6411423 0.90 NR3C1 (0.46) NR3C1PGRIDO1TDO2TRPV1
SCHEMBL5798295 0.88 NR3C1 (0.48) NR3C1PGRTRPV1RAF1BRAF
SCHEMBL6403528 0.87 NR3C1 (0.63) NR3C1PGRTRPV1DHPSNPC1
SCHEMBL6410296 0.87 NR3C1 (0.59) NR3C1PGRTRPV1NPC1LMNA
SCHEMBL6408601 0.86 NR3C1 (0.53) NR3C1PGRTRPV1DHPSNPC1
SCHEMBL4732633 0.86 NR3C1 (0.57) NR3C1PGRTRPV1NPC1LMNA
SCHEMBL5802391 0.85 NR3C1 (0.69) NR3C1PGRTRPV1NPC1LMNA
SCHEMBL5801078 0.84 NR3C1 (0.52) NR3C1PGRIDO1TDO2TRPV1
SCHEMBL5796840 0.84 NR3C1 (0.55) NR3C1PGRTDO2TRPV1DHPS
SCHEMBL5800297 0.84 NR3C1 (0.48) NR3C1PGRTRPV1DHPS

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 3289/4885IDO1 16/4885

“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.