SCHEMBL4616034

SCHEMBL4616034

CCCCCCNC(=O)c1cccc(Oc2ccc(OCC(=O)O)c(C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
PPARD Q03181 2/20 0.53
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
NAAA Q02083 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
PPARA Q07869 2/20 0.47
SMPD1 P17405 3/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
PLA2G4B P0C869 2/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4614609 0.84 PPARG (0.58) PPARGPPARDGAAMAPTNAAA
SCHEMBL5429402 0.80 MMP13 (0.53) PPARGPPARDGAASMN1; SMN2PPARA
SCHEMBL4616353 0.77 PPARD (0.64) PPARGPPARDPPARA
SCHEMBL9489684 0.77 SMPD1 (0.76) GAAMAPTNAAASMN1; SMN2SMPD1
SCHEMBL5422973 0.76 FFAR1 (0.48) PPARGPPARDSMN1; SMN2PPARALMNA
SCHEMBL7742636 0.74 GAA (0.65) GAAMAPTSMN1; SMN2SMPD1KMT2A
SCHEMBL6535127 0.73 SMN1; SMN2 (0.87) GAAMAPTNAAASMN1; SMN2LMNA
SCHEMBL131829 0.73 SMN1; SMN2 (0.87) GAAMAPTNAAASMN1; SMN2LMNA
SCHEMBL18736484 0.73 ALDH1A1 (0.59) PPARGGAAMAPTSMN1; SMN2PPARA
SCHEMBL14336245 0.73 ALDH1A1 (0.64) GAAMAPTSMN1; SMN2NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 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 (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-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARG 1/4885PPARD 3/4885GAA 828/4885

“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.