SCHEMBL5233289

SCHEMBL5233289

CCCCOc1c(C(=O)OCC)n(Cc2ccco2)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
TSHR P16473 5/20 0.48
MAPT P10636 5/20 0.48
ALDH1A1 P00352 10/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 4/20 0.47
POLB P06746 3/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 2/20 0.47
RECQL P46063 2/20 0.47
PKM P14618 1/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 5/20 0.46
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.42
GLA P06280 3/20 0.42
USP2 O75604 2/20 0.42

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
SCHEMBL5235937 0.90 MAPT (0.42) KDM4ETSHRMAPTALDH1A1MEN1
SCHEMBL5233806 0.85 MAPK8 (0.46) KDM4ETSHRMAPTMEN1KMT2A
SCHEMBL5235662 0.84 ALDH1A1 (0.54) KDM4ETSHRMAPTALDH1A1MEN1
SCHEMBL5239540 0.83 TSHR (0.42) KDM4ETSHRMAPTALDH1A1MEN1
SCHEMBL5238814 0.82 USP2 (0.42) KDM4ETSHRMAPTALDH1A1MEN1
SCHEMBL5238818 0.81 LMNA (0.40) KDM4ETSHRMAPTALDH1A1MEN1
SCHEMBL5234123 0.80 ESR1 (0.38) KDM4EMAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5231274 0.80 TSHR (0.41) KDM4ETSHRMAPTALDH1A1MEN1
SCHEMBL5232581 0.79 ALDH1A1 (0.43) KDM4ETSHRALDH1A1KMT2AHPGD
SCHEMBL5239284 0.79 ESR1 (0.38) KDM4EALDH1A1HPGDPOLBGAA

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 897/4885TSHR 2475/4885MAPT 4855/4885

“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.