SCHEMBL3034823

SCHEMBL3034823

COc1ccc2c(c1)c(CCC(=O)O)cn2C(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55
HTR6 P50406 1/20 0.54
MTNR1A P48039 5/20 0.50
PLA2G4A P47712 3/20 0.50
MTNR1B P49286 4/20 0.49
AKR1C3 P42330 7/20 0.49
AKR1C2 P52895 3/20 0.49
AKR1C4 P17516 1/20 0.47
PTGS1 P23219 1/20 0.47
POLB P06746 1/20 0.46
NQO2 P16083 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3018944 0.93 HTR6 (0.53) PPARGPPARDPPARAHTR6MTNR1A
SCHEMBL3030233 0.89 PPARG (0.53) PPARGPPARDPPARAHTR6MTNR1A
SCHEMBL8648200 0.83 AKR1C3 (0.61) PPARGPPARDPPARAHTR6MTNR1A
SCHEMBL3029516 0.83 HTR6 (0.76) PPARGPPARDPPARAHTR6MTNR1A
SCHEMBL3032670 0.82 HTR6 (0.52) PPARGPPARDPPARAHTR6MTNR1A
SCHEMBL8644723 0.80 AKR1C3 (0.72) AKR1C3AKR1C2AKR1C4PTGS1NPSR1
SCHEMBL3038908 0.78 PPARG (0.55) PPARGPPARDPPARAHTR6MTNR1A
SCHEMBL18509701 0.78 MTNR1A (0.67) PPARGPPARDPPARAHTR6MTNR1A
SCHEMBL13240001 0.77 HTR6 (0.50) HTR6MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL3025302 0.77 HTR6 (0.73) HTR6MTNR1AMTNR1BAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 US disclosed
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-07-05 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-20050038246-A1 PPAR active compounds PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885
US-20050288354-A1 PPAR active compounds PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA PPARG 1/4885PPARD 2/4885PPARA 3/4885

“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.