SCHEMBL5234366

SCHEMBL5234366

CCCCOc1c(N(C)C(=O)O)n(CC2CC2)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
AVPR1B P47901 1/20 0.33
THRB P10828 3/20 0.33
THRA P10827 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TLR7 Q9NYK1 4/20 0.32
TLR8 Q9NR97 3/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
TSHR P16473 1/20 0.31
CNR2 P34972 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5234024 0.86 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10HPGDAVPR1B
SCHEMBL5234701 0.85 MAPK8 (0.44) ALDH1A1KDM4EHSD17B10HPGDAVPR1B
SCHEMBL5238621 0.85 PGR (0.39) ALDH1A1KDM4EHSD17B10HPGDAVPR1B
SCHEMBL5235017 0.85 THRA (0.34) ALDH1A1KDM4EHSD17B10THRBTHRA
SCHEMBL5234035 0.84 AVPR1B (0.33) ALDH1A1KDM4EHSD17B10HPGDAVPR1B
SCHEMBL5236981 0.84 THRB (0.34) ALDH1A1KDM4EHPGDTHRBTHRA
SCHEMBL5236587 0.84 THRB (0.34) ALDH1A1KDM4ETHRBTHRASMN1; SMN2
SCHEMBL5236301 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDTHRB
SCHEMBL5233581 0.83 MAPK8 (0.37) ALDH1A1KDM4EHSD17B10HPGDAVPR1B
SCHEMBL5238562 0.83 MAPK8 (0.39) ALDH1A1KDM4ETLR7TSHRLMNA

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 ALDH1A1 387/4885KDM4E 897/4885HSD17B10 640/4885

“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.