SCHEMBL4852058

SCHEMBL4852058

COCOCc1nc(-c2ccccc2)oc1COc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
PPARG P37231 10/20 0.54
PPARA Q07869 10/20 0.54
KDR P35968 1/20 0.53
MAPT P10636 4/20 0.52
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL4847939 0.92 FFAR1 (0.63) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4845525 0.86 KDR (0.66) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4850325 0.83 FFAR1 (0.69) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4847998 0.81 KDM4E (0.48) FFAR1PPARGPPARAKDRMAPT
SCHEMBL19392906 0.81 FFAR1 (0.68) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4030957 0.80 FFAR1 (0.70) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4032011 0.80 FFAR1 (0.70) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4851678 0.79 FFAR1 (0.70) FFAR1PPARGPPARAKDRMAPT
SCHEMBL3281065 0.79 KDR (0.76) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4035773 0.79 FFAR1 (0.69) FFAR1PPARGPPARAKDRMAPT

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 FFAR1 771/4885PPARG 536/4885PPARA 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.