SCHEMBL4845929

SCHEMBL4845929

COC(=O)c1cccc(-c2nc(COc3ccc(CO)cc3OC)c(C)o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.48
VDR P11473 2/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FFAR1 O14842 1/20 0.44
TP53 P04637 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL4852529 0.92 SMN1; SMN2 (0.47) SMN1; SMN2VDRMAPTLMNAKDM4E
SCHEMBL4847922 0.90 MAPT (0.53) KDRSMN1; SMN2MAPTTP53POLB
SCHEMBL4855342 0.87 KDR (0.59) KDRVDRMAPTFFAR1TP53
SCHEMBL4855222 0.86 ALDH1A1 (0.52) SMN1; SMN2VDRMAPTLMNAKDM4E
SCHEMBL4038141 0.85 KDR (0.67) KDRSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL4845464 0.85 KDR (0.57) KDRSMN1; SMN2VDRMAPTLMNA
SCHEMBL4853675 0.85 KDR (0.46) KDRSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL4850575 0.83 KDR (0.52) KDRSMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL4843844 0.82 VDR (0.52) KDRSMN1; SMN2VDRMAPTLMNA
SCHEMBL4850665 0.82 KDR (0.53) KDRSMN1; SMN2MAPTLMNAHPGD

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 KDR 2335/4885SMN1; SMN2 4339/4885VDR 1346/4885

“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.