SCHEMBL5237464

SCHEMBL5237464

COCCOc1c(C(=O)O)n(CC(C)(C)C)c(=O)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.38
MAPK8 P45983 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CCR2 P41597 1/20 0.35
CXCR2 P25025 1/20 0.35
DPP4 P27487 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5231036 0.88 L3MBTL1 (0.43) ALDH1A1MAPTKDM4ETDP1L3MBTL1
SCHEMBL5233865 0.86 KDM4E (0.41) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL5237691 0.82 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EDPP4TSHR
SCHEMBL5234822 0.82 ALDH1A1 (0.40) ALDH1A1MAPTMAPK8KDM4EKMT2A
SCHEMBL5234819 0.81 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EKMT2ADPP4
SCHEMBL5236956 0.80 DPP4 (0.47) ALDH1A1KDM4EDPP4TSHRSMN1; SMN2
SCHEMBL5238223 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EDPP4TSHRSMN1; SMN2
SCHEMBL6106133 0.79 ALDH1A1 (0.38) ALDH1A1MAPTMAPK8KDM4EKMT2A
SCHEMBL6106130 0.79 ALDH1A1 (0.37) ALDH1A1MAPTMAPK8KDM4EKMT2A
SCHEMBL5233440 0.77 L3MBTL1 (0.39) ALDH1A1MAPTL3MBTL1

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 ALDH1A1 387/4885MAPT 4855/4885MAPK8 2612/4885

“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.