SCHEMBL4614599

SCHEMBL4614599

CCOC(=O)COc1ccc(Oc2cccc(C(=O)OCc3ccccc3)c2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.47
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PPARG P37231 2/20 0.43
PPARD Q03181 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
MAOB P27338 1/20 0.43
ABCB1 P08183 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
SCHEMBL4616043 0.86 NPC1 (0.50) RAB9ANPC1MAPTKMT2AHPGD
SCHEMBL4615296 0.83 PPARG (0.46) MAPTKMT2AMEN1HPGDALDH1A1
SCHEMBL4616824 0.80 KMT2A (0.52) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4614420 0.79 KMT2A (0.51) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4613874 0.79 MRGPRX4 (0.65) FFAR1FFAR4MAOBMRGPRX4NR4A2
SCHEMBL16545230 0.78 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL18736535 0.78 TDP1 (0.55) RAB9AMAPK1KMT2AHPGDALDH1A1
SCHEMBL7009532 0.78 KMT2A (0.58) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL3018134 0.76 NPC1 (0.54) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL23226754 0.75 FFAR4 (0.59) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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 RAB9A 3645/4885NPC1 588/4885SMN1; SMN2 4281/4885

“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.