SCHEMBL5232986

SCHEMBL5232986

CCCCOc1c(C(=O)OCC)n(CC(C)(C)C)c(=O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HCRTR1 O43613 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
RECQL P46063 2/20 0.38
MPI P34949 1/20 0.38
EP300 Q09472 1/20 0.38
PHOSPHO1 Q8TCT1 1/20 0.38
KAT2A Q92830 1/20 0.38

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
SCHEMBL5233865 0.90 KDM4E (0.41) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL5238926 0.89 KDM4E (0.41) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL5231548 0.88 ALDH1A1 (0.40) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL5233933 0.88 ALDH1A1 (0.40) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL5231036 0.87 L3MBTL1 (0.43) KDM4ELMNAALDH1A1L3MBTL1GAA
SCHEMBL5236202 0.86 KDM4E (0.36) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5236060 0.86 SMN1; SMN2 (0.43) KDM4ELMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL5238841 0.86 PTGDR2 (0.37) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL5235680 0.86 GABRA1 (0.43)
SCHEMBL5239284 0.85 ESR1 (0.38) KDM4ELMNAALDH1A1HTTL3MBTL1

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 3 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-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US 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 KDM4E 897/4885LMNA 1764/4885ALDH1A1 387/4885

“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.