SCHEMBL3033152

SCHEMBL3033152

COc1ccc2c(c1)c(CCC(=O)O)cn2Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
PLA2G2A P14555 4/20 0.56
HTR6 P50406 1/20 0.53
PLA2G4A P47712 5/20 0.52
PPARG P37231 3/20 0.51
PPARD Q03181 3/20 0.51
PPARA Q07869 3/20 0.51
SERPINE1 P05121 2/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47

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
SCHEMBL3031169 0.92 MTNR1A (0.64) MTNR1AMTNR1BPLA2G2AHTR6PLA2G4A
SCHEMBL2000965 0.90 PLA2G2A (0.63) MTNR1AMTNR1BPLA2G2AHTR6PPARG
SCHEMBL3019384 0.86 MTNR1A (0.73) MTNR1AMTNR1BPLA2G2AHTR6PLA2G4A
SCHEMBL13239997 0.86 HTR6 (0.52) MTNR1AMTNR1BPLA2G2AHTR6PPARG
SCHEMBL3025101 0.84 MTNR1A (0.63) MTNR1AMTNR1BPLA2G2AHTR6PLA2G4A
SCHEMBL3019501 0.84 MTNR1A (0.52) MTNR1AMTNR1BPLA2G2AHTR6PLA2G4A
SCHEMBL3026213 0.81 MTNR1A (0.60) MTNR1AMTNR1BPLA2G2AHTR6PLA2G4A
SCHEMBL3030239 0.80 MTNR1A (0.61) MTNR1AMTNR1BPLA2G2AHTR6PLA2G4A
SCHEMBL3029564 0.80 PPARG (0.71) HTR6PPARGPPARDPPARA
SCHEMBL13368594 0.78 HTR6 (0.64) MTNR1AMTNR1BPLA2G2AHTR6PPARG

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572806-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-08-11 US claimed
US-20080096913-A1 PPAR active compounds PLEXXIKON, INC. 2008-04-24 US claimed
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 EP disclosed
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 EP disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 US disclosed
EP-1648867-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-04-26 EP disclosed
US-20050288354-A1 PPAR active compounds PLEXXIKON, INC. 2005-12-29 US disclosed
US-20050038246-A1 PPAR active compounds PLEXXIKON, INC. 2005-02-17 US disclosed
WO-2005009958-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2005-02-03 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 (5 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-20080096913-A1 PPAR active compounds PPARG, PPARD, PPARA MTNR1A 488/4885MTNR1B 384/4885PLA2G2A 938/4885
US-20050038246-A1 PPAR active compounds PPARG, PPARD, PPARA MTNR1A 488/4885MTNR1B 384/4885PLA2G2A 938/4885
US-20050288354-A1 PPAR active compounds PPARG, PPARD, PPARA MTNR1A 488/4885MTNR1B 384/4885PLA2G2A 938/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA MTNR1A 488/4885MTNR1B 384/4885PLA2G2A 938/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA MTNR1A 488/4885MTNR1B 384/4885PLA2G2A 938/4885

“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.