SCHEMBL4615683

SCHEMBL4615683

COC(=O)CCc1ccc(Oc2cccc(C(=O)O)c2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 1/20 0.48
KMO O15229 1/20 0.48
ALDH1A1 P00352 1/20 0.46
PPARA Q07869 5/20 0.46
PPARG P37231 4/20 0.46
PPARD Q03181 4/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL4616697 0.89 PPARG (0.43) AKR1C3KMOALDH1A1PPARAPPARG
SCHEMBL4516207 0.85 PPARG (0.45) POLBPPARAPPARGPPARDMEN1
SCHEMBL4502925 0.84 PPARG (0.49) ALDH1A1PPARAPPARGPPARDKDM4E
SCHEMBL31657171 0.84 AKR1C3 (0.59) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL4616535 0.83 PPARG (0.42) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL3919054 0.83 EPHX2 (0.48) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL4615129 0.82 PPARG (0.49) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL4508283 0.81 FFAR1 (0.56) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5704455 0.81 PPARG (0.48) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL1745433 0.81 FFAR1 (0.58) PPARAPPARGPPARD

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 AKR1C3 507/4885NPC1 588/4885POLB 911/4885

“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.