SCHEMBL5236394

SCHEMBL5236394

CCOC(=O)c1c(O)c2cc3ccccc3cc2c(=O)n1CC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HCRTR1 O43613 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
RECQL P46063 1/20 0.42
HTT P42858 3/20 0.42
USP2 O75604 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
BLM P54132 1/20 0.40
CDC25B P30305 2/20 0.40

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
SCHEMBL5276033 0.89 KDM4E (0.52) KDM4EALDH1A1MAPTGAALMNA
SCHEMBL5237473 0.87 ALDH1A1 (0.41) KDM4EALDH1A1MAPTGAALMNA
SCHEMBL5235788 0.86 KDM4E (0.41) KDM4EALDH1A1MAPTGAALMNA
SCHEMBL5230998 0.86 KDM4E (0.41) KDM4EALDH1A1MAPTGAALMNA
SCHEMBL5235266 0.86 TNF (0.42) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL5238926 0.84 KDM4E (0.41) KDM4EALDH1A1MAPTGAALMNA
SCHEMBL5238679 0.84 ALDH1A1 (0.50) KDM4EALDH1A1MAPTGAALMNA
SCHEMBL5576875 0.84 ALDH1A1 (0.50) KDM4EALDH1A1MAPTGAALMNA
SCHEMBL5239883 0.84 PTGDR2 (0.40) KDM4EALDH1A1MAPTGAALMNA
SCHEMBL5233862 0.84 KDM4E (0.40) KDM4EALDH1A1MAPTGAALMNA

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 5 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-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 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 (2 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 KDM4E 897/4885ALDH1A1 387/4885MAPT 4855/4885
US-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR KDM4E 2749/4885ALDH1A1 2961/4885MAPT 4733/4885

“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.