SCHEMBL6828016

SCHEMBL6828016

CCOC(COc1ccc(C(F)(F)F)cc1)OCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.50
FFAR1 O14842 3/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 5/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7019539 0.82 PPARD (0.46) PPARDFFAR1PPARGPPARAMAOB
SCHEMBL16595194 0.82 MAOB (0.45) PPARDMAOBCHRNB2CHRNB4CHRNA3
SCHEMBL8339295 0.82 PPARD (0.41) PPARDFFAR1PPARGPPARALMNA
SCHEMBL5327538 0.81 NPC1 (0.47) MAPTMAOBALDH1A1
SCHEMBL17400969 0.81 NQO1 (0.61) MAPTALDH1A1
SCHEMBL11512115 0.81 L3MBTL1 (0.56) LMNAL3MBTL1MAOBALDH1A1
SCHEMBL2329756 0.80 CYP1A2 (0.47) L3MBTL1MAOB
SCHEMBL16519363 0.80 NQO1 (0.46) MAPTMAOBALDH1A1
SCHEMBL8237725 0.79 NQO1 (0.64) LMNAMAPTATML3MBTL1MAOB
SCHEMBL1602371 0.79 SMN1; SMN2 (0.53) LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681207-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2016-12-28 EP disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
EP-2681207-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2014-01-08 EP disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 WO disclosed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 WO disclosed
WO-2004069829-A1 (2S)-2-((PYRIMIDIN-4-YL)AMINO)-4-METHYLPENTANOIC ACID AMINOETHYLAMID DERIVATIVES AS IL-8 RECEPTOR MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND RHEUMATOID ARTHRITIS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-19 WO disclosed
US-4031232-A 1-Alkyl-2-(phenoxymethyl)-5-nitro-imidazoles and process for their manufacture HOECHST AKTIENGESELLSCHAFT (DT) 1977-06-21 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-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 PPARD 1046/4885FFAR1 3260/4885PPARG 597/4885

“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.