SCHEMBL5093979

SCHEMBL5093979

COC(=O)C=Cc1ccc(OCc2ccccc2)c2c1CNC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.52
MAP3K7 O43318 1/20 0.51
TAB1 Q15750 1/20 0.51
PTGER4 P35408 2/20 0.46
PTGER2 P43116 2/20 0.46
PTGER1 P34995 1/20 0.46
PTGER3 P43115 1/20 0.46
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
APP P05067 6/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
BACE1 P56817 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42

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
SCHEMBL5093974 1.00 HDAC8 (0.52) HDAC8MAP3K7TAB1PTGER4PTGER2
SCHEMBL5721978 0.83 HDAC8 (0.49) HDAC8MAP3K7TAB1PTGER4PTGER2
SCHEMBL19651747 0.80 PTGER4 (0.70) HDAC8MAP3K7TAB1PTGER4PTGER2
SCHEMBL7770104 0.80 PTGER4 (0.70) HDAC8MAP3K7TAB1PTGER4PTGER2
SCHEMBL5093858 0.79 HDAC8 (0.45) HDAC8MAP3K7TAB1PTGER4PTGER2
SCHEMBL5093855 0.79 HDAC8 (0.45) HDAC8MAP3K7TAB1PTGER4PTGER2
SCHEMBL9199949 0.78 HDAC8 (0.65) HDAC8MAP3K7TAB1PTGER4PTGER2
SCHEMBL8305581 0.77 MAP3K7 (0.52) HDAC8MAP3K7TAB1PTGER4PTGER2
SCHEMBL8305578 0.77 MAP3K7 (0.52) HDAC8MAP3K7TAB1PTGER4PTGER2
SCHEMBL1270178 0.76 HDAC8 (0.63) HDAC8MAP3K7TAB1PTGER4PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
EP-1687299-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREAMTMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051945-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREATMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2005-06-09 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-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar PPARG, PPARD, PPARA HDAC8 415/4885MAP3K7 2267/4885TAB1 2988/4885

“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.