SCHEMBL6406150

SCHEMBL6406150

Cc1cc(NCC(O)(CC(C)(C)C2=COC(Cc3ccccc3)O2)C(F)(F)F)c2cn[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.36
TDO2 P48775 9/20 0.36
NR3C1 P04150 8/20 0.34
METAP2 P50579 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL4628521 0.90 NR3C1 (0.39) TDO2NR3C1PGR
SCHEMBL4735534 0.78 NR3C1 (0.47) NR3C1PGR
SCHEMBL6408234 0.77 NR3C1 (0.38) NR3C1PGR
SCHEMBL5802087 0.77 NR3C1 (0.40) TDO2NR3C1PGR
SCHEMBL6405691 0.75 NR3C1 (0.41) NR3C1PGR
SCHEMBL4629928 0.73 NR3C1 (0.54) NR3C1PGR
SCHEMBL6404388 0.73 NR3C1 (0.36) NR3C1PGR
SCHEMBL6406146 0.73 NR3C1 (0.39) IDO1TDO2NR3C1PGR
SCHEMBL4628810 0.72 NR3C1 (0.46) NR3C1PGR
SCHEMBL4630426 0.71 NR3C1 (0.42) NR3C1PGR

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 IDO1 16/4885TDO2 266/4885NR3C1 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.