SCHEMBL4489769

SCHEMBL4489769

COC(=O)COc1c[nH]c2ccc(OC)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.57
KDM4E B2RXH2 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.54
MITF O75030 1/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MTNR1A P48039 7/20 0.53
MTNR1B P49286 5/20 0.52
CYP2D6 P10635 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A1 P04798 1/20 0.52
MPO P05164 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL17242316 0.78 MEN1 (0.54) NR4A2KDM4EKMT2AMEN1RAB9A
SCHEMBL2686551 0.78 KDM4E (0.77) NR4A2KDM4EKMT2AMEN1RAB9A
SCHEMBL28337310 0.77 GPR84 (0.64) NR4A2KDM4EKMT2AMEN1RAB9A
SCHEMBL23629467 0.77 SLC22A6 (0.60) NR4A2KDM4EKMT2AMEN1RAB9A
SCHEMBL9513601 0.76 HTR2A (0.61) KDM4EKMT2AMEN1MAPTNPSR1
SCHEMBL3018752 0.76 MTNR1A (0.70) KDM4EKMT2AMEN1RAB9AMAPT
SCHEMBL11279104 0.76 ALDH1A1 (0.54) KDM4EKMT2AMEN1RAB9ALMNA
SCHEMBL8883632 0.75 MTNR1A (0.54) NR4A2KDM4EKMT2AMEN1RAB9A
SCHEMBL4493312 0.75 KDM4E (0.56) NR4A2KDM4EKMT2AMEN1RAB9A
SCHEMBL2348045 0.75 KMT2A (0.53) NR4A2KDM4EKMT2AMEN1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531568-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-05-12 US disclosed
US-7531568-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-05-12 US disclosed
US-7531568-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-05-12 US disclosed
EP-1819673-A2 INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-08-22 EP disclosed
WO-2006060456-A2 INDOLE DERIVATIVES FOR USE AS PPAR PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-06-08 WO disclosed
US-20060116416-A1 PPAR active compounds PLEXXIKON, INC 2006-06-01 US 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-20060116416-A1 PPAR active compounds PPARG, PPARA, PPARD NR4A2 76/4885KDM4E 4062/4885KMT2A 4098/4885

“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.