SCHEMBL4846412

SCHEMBL4846412

COc1cc(CCl)ccc1OCc1nc(-c2cccc(CC(=O)O)c2)oc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
KDR P35968 1/20 0.47
VDR P11473 1/20 0.47
PPARD Q03181 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
CYP2C9 P11712 2/20 0.43
KCNH2 Q12809 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4845464 0.92 KDR (0.57) FFAR1KDRVDRPPARDKDM4E
SCHEMBL4850642 0.91 PPARG (0.52) FFAR1KDM4EPPARGPPARASMN1; SMN2
SCHEMBL4843985 0.90 FFAR1 (0.59) FFAR1KDRPPARDKDM4EPPARG
SCHEMBL4850654 0.86 ALDH1A1 (0.47) FFAR1KDRVDRPPARDKDM4E
SCHEMBL1731684 0.86 KDR (0.53) FFAR1KDRPPARDKDM4EPPARG
SCHEMBL4852529 0.85 SMN1; SMN2 (0.47) FFAR1VDRPPARDKDM4EPPARG
SCHEMBL4034512 0.82 KDR (0.53) FFAR1KDRPPARDKDM4EPPARG
SCHEMBL4854118 0.82 TP53 (0.50) FFAR1KDRPPARDKDM4EPPARG
SCHEMBL4031209 0.82 KDR (0.62) FFAR1KDRVDRPPARDPPARG
SCHEMBL4846802 0.82 KDR (0.53) FFAR1KDRPPARDKDM4EPPARG

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 771/4885KDR 2335/4885VDR 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.