SCHEMBL12876224

SCHEMBL12876224

Cc1cc(C=O)cc(-c2nc(COC3CCCCO3)c(C)s2)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX3 P56373 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1199086 0.89 PPARG (0.36) PPARGPPARAKDM4CICAM1SELE
SCHEMBL12876196 0.85 KDM4C (0.33) PPARGPPARAKDM4CICAM1SELE
SCHEMBL12876229 0.83 NPC1 (0.34) PPARGPPARAKDM4CICAM1SELE
SCHEMBL15006436 0.79 NPC1 (0.31) PPARGPPARANPC1RAB9A
SCHEMBL12876144 0.78 RAB9A (0.38) PPARGPPARAKDM4CICAM1SELE
SCHEMBL1197708 0.76 PPARG (0.34) PPARGPPARAKDM4CNPC1RAB9A
SCHEMBL1198072 0.74 PPARG (0.34) PPARGPPARAKDM4CICAM1SELE
SCHEMBL12876150 0.71 FFAR1 (0.36) PPARGPPARAKDM4CNPC1RAB9A
SCHEMBL12876153 0.71 FFAR1 (0.38) PPARGPPARAKDM4CICAM1SELE
SCHEMBL13650689 0.70 TACR1 (0.31) PPARGPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A PPARG 139/4885PPARA 517/4885KDM4C 2736/4885

“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.