SCHEMBL4851992

SCHEMBL4851992

COC(=O)c1cc(C=O)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARG P37231 2/20 0.46
CYP1A2 P05177 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
VDR P11473 2/20 0.39
PPARA Q07869 1/20 0.39
LCLAT1 Q6UWP7 6/20 0.39
AXL P30530 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
SCHEMBL4850953 0.87 PPARG (0.50) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL6160140 0.86 PPARG (0.57) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL4848084 0.86 PPARG (0.53) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL4850066 0.86 PPARG (0.49) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL4850788 0.84 PPARG (0.47) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL4846291 0.84 PPARG (0.49) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL4852631 0.83 ALDH1A1 (0.49) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL6961189 0.80 FDPS (0.53) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL6961196 0.80 FDPS (0.53) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL4029092 0.80 FFAR1 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E

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 ALDH1A1 821/4885MAPT 4700/4885HPGD 1095/4885

“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.