SCHEMBL3025302

SCHEMBL3025302

COC(=O)CCc1cn(C(=O)c2ccccc2)c2ccc(OC)cc12

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.73
AKR1C3 P42330 14/20 0.64
AKR1C2 P52895 8/20 0.59
PTGS1 P23219 2/20 0.59
AKR1C4 P17516 1/20 0.59
HTR1A P08908 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR1F P30939 1/20 0.53
HTR7 P34969 1/20 0.53
MTNR1A P48039 2/20 0.51
MTNR1B P49286 1/20 0.50
AR P10275 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL3029516 0.91 HTR6 (0.76) HTR6AKR1C3AKR1C2PTGS1AKR1C4
SCHEMBL5654827 0.85 HTR6 (0.54) HTR6AKR1C3AKR1C2PTGS1AKR1C4
SCHEMBL3018944 0.85 HTR6 (0.53) HTR6AKR1C3AKR1C2PTGS1AKR1C4
SCHEMBL30485865 0.84 HTR6 (1.00) HTR6AKR1C3AKR1C2PTGS1AKR1C4
SCHEMBL13240305 0.84 HTR6 (0.73) HTR6AKR1C3AKR1C2PTGS1AKR1C4
Oxalic Acid SCHEMBL7438526 0.84 HTR6 (0.73) HTR6AKR1C3AKR1C2PTGS1AKR1C4
SCHEMBL5497004 0.84 HTR6 (1.00) HTR6AKR1C3AKR1C2PTGS1AKR1C4
SCHEMBL4811932 0.84 HTR6 (0.53) HTR6AKR1C3AKR1C2PTGS1AKR1C4
SCHEMBL18133072 0.84 AKR1C3 (0.81) HTR6AKR1C3AKR1C2PTGS1AKR1C4
SCHEMBL3032670 0.83 HTR6 (0.52) HTR6AKR1C3AKR1C2PTGS1AKR1C4

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 40 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 HTR6 1004/4885AKR1C3 3189/4885AKR1C2 2442/4885
US-20050288354-A1 PPAR active compounds PPARG, PPARD, PPARA HTR6 1004/4885AKR1C3 3189/4885AKR1C2 2442/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA HTR6 1004/4885AKR1C3 3189/4885AKR1C2 2442/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA HTR6 1004/4885AKR1C3 3189/4885AKR1C2 2442/4885
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA HTR6 1004/4885AKR1C3 3189/4885AKR1C2 2442/4885

“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.