SCHEMBL4534801

SCHEMBL4534801

[CH2]CCc1ccc(OCCN2CCOCC2)cc1Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.49
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
BRAF P15056 1/20 0.42
MAPK14 Q16539 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3208820 0.90 PPARG (0.54) PPARGNPC1KDM4EALDH1A1
SCHEMBL3204790 0.86 PPARG (0.54) PPARGNPC1
SCHEMBL3195969 0.83 PPARG (0.63) PPARG
SCHEMBL3209370 0.82 PPARG (0.56) PPARG
SCHEMBL3206523 0.82 PPARG (0.65) PPARGALDH1A1
SCHEMBL5113490 0.82 PPARG (0.56) PPARG
SCHEMBL3204599 0.82 PPARG (0.53) PPARG
SCHEMBL3205083 0.82 PPARG (0.63) PPARGALDH1A1
SCHEMBL3217342 0.80 PPARG (0.54) PPARG
SCHEMBL3215713 0.79 PPARG (0.51) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO 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 (2 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PPARG 31/4885NPC1 1683/4885KDM4E 1872/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 PPARG 30/4885NPC1 1377/4885KDM4E 2362/4885

“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.