SCHEMBL6405434

SCHEMBL6405434

CC(C)(CC(O)(CNc1cccc2[nH]ncc12)C(F)(F)F)c1cccc(Cl)c1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.52
PGR P06401 2/20 0.52
AXL P30530 1/20 0.39
NOS1 P29475 1/20 0.39
TRPV1 Q8NER1 5/20 0.39
NT5E P21589 1/20 0.38
DHPS P49366 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37

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 0.90 NR3C1 (0.63) NR3C1PGRAXLTRPV1DHPS
SCHEMBL5777174 0.88 NR3C1 (0.45) NR3C1PGRAXLNOS1TRPV1
SCHEMBL5796840 0.87 NR3C1 (0.55) NR3C1PGRAXLTRPV1DHPS
SCHEMBL5801078 0.87 NR3C1 (0.52) NR3C1PGRTRPV1NT5EDHPS
SCHEMBL6411423 0.87 NR3C1 (0.46) NR3C1PGRTRPV1DHPS
SCHEMBL6408601 0.85 NR3C1 (0.53) NR3C1PGRTRPV1DHPSNPC1
SCHEMBL5800297 0.85 NR3C1 (0.48) NR3C1PGRTRPV1DHPS
SCHEMBL5774962 0.84 NR3C1 (0.46) NR3C1PGRTRPV1
SCHEMBL6409875 0.84 CLK4 (0.44) NR3C1PGRTRPV1DHPSNPC1
SCHEMBL5801258 0.84 NR3C1 (0.49) NR3C1PGRAXLTRPV1DHPS

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 NR3C1 1483/4885PGR 3289/4885AXL 3109/4885

“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.