SCHEMBL4843945

SCHEMBL4843945

CCOP(=O)(CCc1cc(O)nn1-c1ccccc1)OCC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.39
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
BCL2 P10415 1/20 0.37
MDM2 Q00987 1/20 0.37
MCL1 Q07820 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
PPARD Q03181 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
SCHEMBL4851223 0.83 FHIT (0.38) USP2GAAKMT2AALDH1A1LMNA
SCHEMBL23401034 0.78 USP2 (0.51) USP2GAAL3MBTL1ALDH1A1LMNA
SCHEMBL23403068 0.77 LMNA (0.48) PDE4DUSP2GAAL3MBTL1ALDH1A1
SCHEMBL5111929 0.76 KMT2A (0.54) PDE4DGAAKMT2AMAPTKDM4E
SCHEMBL23401114 0.76 CNR1 (0.48) USP2ALDH1A1LMNATSHR
SCHEMBL4852309 0.74 RAB9A (0.44) USP2GAAKMT2AL3MBTL1MAPT
SCHEMBL28187486 0.70 KDM4A (0.38) USP2GAAKMT2AALDH1A1LMNA
SCHEMBL5248630 0.70 CETP (0.47) TSHRPPARD
SCHEMBL23402955 0.70 KCNH2 (0.52) GAAALDH1A1
SCHEMBL2942428 0.70 KMT2A (0.45) PDE4DUSP2GAAKMT2ABCL2

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
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 PDE4D 4605/4885USP2 4693/4885GAA 1777/4885

“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.