SCHEMBL4843844

SCHEMBL4843844

COC(=O)c1ccccc1-c1nc(COc2ccc(CO)cc2OC)c(C)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.52
KDR P35968 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
HSP90AA1 P07900 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
PPARG P37231 2/20 0.43
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL4848297 0.86 ALDH1A1 (0.58) VDRMAPTMEN1KMT2AHTT
SCHEMBL4853675 0.84 KDR (0.46) KDRMAPTMEN1KMT2ANPSR1
SCHEMBL4847922 0.83 MAPT (0.53) KDRMAPTMEN1KMT2APPARG
SCHEMBL4845929 0.82 KDR (0.52) VDRKDRMAPTMEN1KMT2A
SCHEMBL4038141 0.82 KDR (0.67) KDRMAPTLMNAPPARGNPC1
SCHEMBL4854184 0.81 SMN1; SMN2 (0.43) KDRMAPTMEN1KMT2AHTT
SCHEMBL4843727 0.80 VDR (0.40) VDRMAPTMEN1KMT2AHSP90AA1
SCHEMBL4852330 0.79 PPARG (0.46) KDRGAAMAPTMEN1KMT2A
SCHEMBL4034982 0.78 KDR (0.67) KDRMAPTKMT2ALMNAPPARG
SCHEMBL4846802 0.78 KDR (0.53) KDRMAPTMEN1KMT2APPARG

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 VDR 1346/4885KDR 2335/4885GAA 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.