SCHEMBL4848563

SCHEMBL4848563

CC(C)(C)[Si](OCc1oc(-c2ccccc2)nc1CO)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDR P35968 1/20 0.41
PPARA Q07869 15/20 0.39
PPARG P37231 13/20 0.39
PPARD Q03181 5/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4848609 0.86 TSHR (0.39) TSHRALDH1A1PPARAPPARGPPARD
SCHEMBL4850282 0.81 FFAR1 (0.56) KDRPPARAPPARGPPARD
SCHEMBL4848598 0.81 TSHR (0.34) TSHRALDH1A1KDRPPARAPPARG
SCHEMBL6606425 0.74 KDM4E (0.49) TSHRALDH1A1KDRPPARAPPARG
SCHEMBL5474356 0.73 L3MBTL1 (0.38) KDM4E
SCHEMBL3587800 0.73 PPARA (0.52) PPARAPPARGPPARDKDM4E
SCHEMBL4034186 0.72 PPARA (0.47) TSHRALDH1A1KDRPPARAPPARG
SCHEMBL4845525 0.71 KDR (0.66) KDRPPARAPPARG
SCHEMBL8777276 0.71 KCNH2 (0.41)
SCHEMBL4822404 0.70 PDCD1 (0.34)

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 TSHR 2067/4885ALDH1A1 821/4885KDR 2335/4885

“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.