SCHEMBL6409875

SCHEMBL6409875

CC(C)(CC(O)(CNc1cccc2[nH]ncc12)C(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.44
DHPS P49366 1/20 0.43
NR3C1 P04150 6/20 0.43
PGR P06401 2/20 0.42
TRPV1 Q8NER1 10/20 0.42
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 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
SCHEMBL5800297 0.87 NR3C1 (0.48) CLK4DHPSNR3C1PGRTRPV1
SCHEMBL6405434 0.84 NR3C1 (0.52) DHPSNR3C1PGRTRPV1NPC1
SCHEMBL4732615 0.84 NR3C1 (0.44) CLK4DHPSNR3C1PGRTRPV1
SCHEMBL4630288 0.84 NR3C1 (0.49) NR3C1PGRTRPV1
SCHEMBL5777869 0.84 NR3C1 (0.56) NR3C1PGR
SCHEMBL5796840 0.83 NR3C1 (0.55) DHPSNR3C1PGRTRPV1
SCHEMBL6411423 0.83 NR3C1 (0.46) DHPSNR3C1PGRTRPV1
SCHEMBL4732633 0.82 NR3C1 (0.57) NR3C1PGRTRPV1NPC1LMNA
SCHEMBL6403528 0.82 NR3C1 (0.63) DHPSNR3C1PGRTRPV1NPC1
SCHEMBL5777174 0.82 NR3C1 (0.45) DHPSNR3C1PGRTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CLK4 2434/4885DHPS 198/4885NR3C1 1483/4885

“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.