SCHEMBL3010108

SCHEMBL3010108

CN(CC(=O)O)Cc1cc2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.47
GCGR P47871 1/20 0.34
NPC1L1 Q9UHC9 1/20 0.34
SLC6A9 P48067 3/20 0.34
ACACB O00763 2/20 0.33
APP P05067 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
SERPINE1 P05121 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL2997604 0.90 PTGES (0.42) PTGESACACBMEN1KMT2ALMNA
SCHEMBL3006124 0.86 PTGES (0.49) PTGESGCGRACACBKDM4EMEN1
SCHEMBL3005797 0.86 PTGES (0.47) PTGESGCGRACACBAPPKDM4E
SCHEMBL4228535 0.85 PTGES (0.53) PTGESGCGRNPC1L1ACACBAPP
SCHEMBL3010113 0.83 PTGES (0.46) PTGESGCGRACACBKDM4EMEN1
SCHEMBL3578255 0.81 PTGES (0.69) PTGESGCGRACACBAPPKDM4E
SCHEMBL3000520 0.80 PTGES (0.45) PTGESGCGRACACBKDM4EMEN1
SCHEMBL4228521 0.79 PTGES (0.54) PTGESGCGRACACBKDM4EMEN1
SCHEMBL4228938 0.79 PTGES (0.57) PTGESACACBAPPKDM4EMEN1
SCHEMBL4228950 0.78 PTGES (0.52) PTGESGCGRLMNAMAPT

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-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 PTGES 33/4885GCGR 717/4885NPC1L1 4835/4885

“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.