SCHEMBL4732633

SCHEMBL4732633

CC(C)(CC(O)(CNc1cccc2[nH]ncc12)C(F)(F)F)c1cc(F)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.57
PGR P06401 9/20 0.53
TRPV1 Q8NER1 4/20 0.42
CYP3A4 P08684 3/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NR3C2 P08235 5/20 0.41

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
SCHEMBL5802391 0.91 NR3C1 (0.69) NR3C1PGRTRPV1CYP3A4NPC1
SCHEMBL6410296 0.90 NR3C1 (0.59) NR3C1PGRTRPV1CYP3A4NPC1
SCHEMBL5778544 0.89 NR3C1 (0.68) NR3C1PGRNR3C2
SCHEMBL6408601 0.89 NR3C1 (0.53) NR3C1PGRTRPV1CYP3A4NPC1
SCHEMBL5780477 0.87 NR3C1 (0.60) NR3C1PGRNR3C2
SCHEMBL5797178 0.86 NR3C1 (0.51) NR3C1PGRTRPV1NR3C2
SCHEMBL6403528 0.86 NR3C1 (0.63) NR3C1PGRTRPV1CYP3A4NPC1
SCHEMBL5801258 0.86 NR3C1 (0.49) NR3C1PGRTRPV1CYP3A4NPC1
SCHEMBL6407224 0.84 NR3C1 (0.51) NR3C1PGRNR3C2
SCHEMBL6405053 0.84 NR3C1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008055709-A1 INDAZOLE AND INDOLE DERIVATIVES AS ANTI -INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-15 WO 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

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 3289/4885TRPV1 743/4885

“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.