SCHEMBL4682039

SCHEMBL4682039

CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccc(OC)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.76
POLB P06746 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TDP1 Q9NUW8 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
RXFP1 Q9HBX9 1/20 0.48
ASIC1 P78348 2/20 0.47
RAB9A P51151 2/20 0.46
FAAH O00519 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL4682094 0.89 SMN1; SMN2 (0.79) MAPTPOLBSMN1; SMN2TDP1L3MBTL1
SCHEMBL14290129 0.88 MAPT (0.58) MAPTPOLBSMN1; SMN2TDP1L3MBTL1
SCHEMBL718675 0.84 SMN1; SMN2 (0.57) MAPTPOLBSMN1; SMN2TDP1L3MBTL1
SCHEMBL5025713 0.82 POLB (0.55) MAPTPOLBSMN1; SMN2TDP1L3MBTL1
SCHEMBL4681188 0.82 POLB (0.55) MAPTPOLBSMN1; SMN2TDP1L3MBTL1
SCHEMBL4682703 0.82 MAPT (0.79) MAPTPOLBSMN1; SMN2TDP1L3MBTL1
SCHEMBL13425922 0.80 MAPT (0.69) MAPTPOLBSMN1; SMN2TDP1L3MBTL1
SCHEMBL30028627 0.79 MAPT (0.68) MAPTPOLBSMN1; SMN2TDP1L3MBTL1
SCHEMBL14144797 0.79 SMN1; SMN2 (0.81) MAPTPOLBSMN1; SMN2TDP1L3MBTL1
SCHEMBL4683641 0.79 NPBWR1 (0.47) MAPTSMN1; SMN2ASIC1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 US disclosed
EP-1513796-A2 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000785-A2 PHENYLOXYALKANONIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 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-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA MAPT 4374/4885POLB 2197/4885SMN1; SMN2 3646/4885

“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.