SCHEMBL4681908

SCHEMBL4681908

CCOC(=O)C(C)(C)Oc1ccc(C(C)(NC)c2cc(-c3ccc(C(F)(F)F)cc3)nn2Cc2ccc(OC)cc2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
PPARD Q03181 9/20 0.42
PPARA Q07869 8/20 0.42
PPARG P37231 7/20 0.42
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CRHR1 P34998 1/20 0.38
PTGER4 P35408 1/20 0.38

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
SCHEMBL4682807 0.92 PPARD (0.50) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL4679104 0.86 PPARG (0.43) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL4678789 0.86 MAPT (0.47) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL4679123 0.84 PPARA (0.45) PPARDPPARAPPARG
SCHEMBL4685213 0.83 MAPT (0.41) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL4742857 0.82 MAPT (0.42) MAPTPPARDPPARAPPARGPOLB
SCHEMBL4677865 0.82 FBP1 (0.39) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL4681190 0.80 PPARA (0.40) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL4677889 0.79 FBP1 (0.40) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL4681991 0.77 PPARA (0.43) PPARDPPARAPPARGPOLBRXFP1

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 8 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 claimed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US claimed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 US claimed
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-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 4374/4885HDAC1 731/4885HDAC3 513/4885

“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.