SCHEMBL4848609

SCHEMBL4848609

COCOCc1nc(-c2ccccc2)oc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARA Q07869 14/20 0.35
PPARG P37231 13/20 0.35
PPARD Q03181 6/20 0.35
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL4848563 0.86 TSHR (0.41) TSHRALDH1A1PPARAPPARGPPARD
SCHEMBL4850282 0.80 FFAR1 (0.56) PPARAPPARGPPARDFFAR1
SCHEMBL4847998 0.78 KDM4E (0.48) TSHRALDH1A1PPARAPPARGPPARD
SCHEMBL4030907 0.77 PPARA (0.42) TSHRALDH1A1PPARAPPARGPPARD
SCHEMBL4848598 0.77 TSHR (0.34) TSHRALDH1A1PPARAPPARGPPARD
SCHEMBL4845281 0.74 FFAR1 (0.43) TSHRALDH1A1PPARAPPARGPPARD
SCHEMBL4852058 0.73 FFAR1 (0.59) PPARAPPARGFFAR1
SCHEMBL4029798 0.70 KDM4E (0.41) TSHRALDH1A1PPARAPPARGPPARD
SCHEMBL4847939 0.68 FFAR1 (0.63) PPARAPPARGPPARDFFAR1
SCHEMBL3587800 0.67 PPARA (0.52) PPARAPPARGPPARDKDM4E

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 821/4885PPARA 519/4885

“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.