SCHEMBL4854438

SCHEMBL4854438

CCc1cc(COc2nn(Cc3ccccc3)cc2C(=O)O)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
PTGER1 P34995 8/20 0.39
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARA Q07869 2/20 0.36
KMT2A Q03164 1/20 0.36
FFAR1 O14842 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4848634 0.94 PPARG (0.39) PPARGPTGER1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4851674 0.93 PPARG (0.46) PPARGPTGER1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4852279 0.92 PPARG (0.42) PPARGPTGER1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4854004 0.92 PPARG (0.41) PPARGPTGER1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4854552 0.91 PPARG (0.51) PPARGKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL4846894 0.91 PPARG (0.41) PPARGPTGER1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4852132 0.90 PPARG (0.40) PPARGKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL4850635 0.89 PPARG (0.40) PPARGPTGER1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4846728 0.88 PPARG (0.43) PPARGKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL4852926 0.88 PPARG (0.43) PPARGKDM4ESMN1; SMN2ALDH1A1MAPT

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 PPARG 536/4885PTGER1 2032/4885KDM4E 719/4885

“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.