SCHEMBL5234879

SCHEMBL5234879

CCCCOc1c(CNC(=O)OC(C)(C)C)n(CC(C)(C)C)c(=O)c2ccc(C(=O)OC)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
GAA P10253 6/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 9/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 3/20 0.36
GLA P06280 2/20 0.36
PKM P14618 2/20 0.36
HTT P42858 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP3A43 Q9HB55 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL5232143 0.92 KDM4E (0.37) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL5236869 0.90 ALDH1A1 (0.39) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL5238626 0.88 KDM4E (0.36) KDM4EGAAKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL5237982 0.84 ALDH1A1 (0.40) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL5233633 0.84 MAPK8 (0.36) ALDH1A1CYP2C19CYP1A1CYP2D6CYP2B6
SCHEMBL5237080 0.83 SDCBP (0.35) CYP2C19CYP1A1CYP2D6CYP2B6CYP3A43
SCHEMBL5236095 0.83 CYP1A1 (0.36) KDM4EGAAKMT2AMEN1CYP2C19
SCHEMBL5236103 0.83 CYP1A1 (0.36) KDM4EGAAKMT2AMEN1CYP2C19
SCHEMBL5231264 0.82 DPP4 (0.46) KDM4EGAAKMT2AALDH1A1HPGD
SCHEMBL5236382 0.82 DPP4 (0.40) KDM4EGAAKMT2AMEN1ALDH1A1

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 897/4885GAA 310/4885KMT2A 452/4885

“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.