SCHEMBL4831377

SCHEMBL4831377

CCCCC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.60
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HSD17B3 P37058 7/20 0.57
MMP1 P03956 1/20 0.54
PTPN1 P18031 2/20 0.53
GSK3B P49841 1/20 0.53
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FRK P42685 1/20 0.48
CAMK2B Q13554 1/20 0.48
CAMK2G Q13555 1/20 0.48
CAMK2D Q13557 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
STS P08842 1/20 0.47

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
SCHEMBL13410667 0.95 HTR7 (0.55) HTR7HDAC1HDAC8HSD17B3MMP1
SCHEMBL2634195 0.95 HTR7 (0.66) HTR7HDAC1HDAC8HSD17B3MMP1
SCHEMBL31279403 0.90 HPGD (0.64) HTR7HDAC1HDAC8HSD17B3MMP1
SCHEMBL27629338 0.90 HDAC1 (0.65) HTR7HDAC1HDAC8HSD17B3MMP1
SCHEMBL12420336 0.89 HDAC1 (0.68) HTR7HDAC1HDAC8HSD17B3MMP1
SCHEMBL11132480 0.88 PTPN1 (0.51) HTR7HDAC1HDAC8HSD17B3MMP1
SCHEMBL11661975 0.86 HSD17B3 (0.74) HTR7HSD17B3HPGDSMN1; SMN2L3MBTL1
SCHEMBL2764867 0.84 MMP1 (0.62) HTR7HDAC1HDAC8HSD17B3MMP1
SCHEMBL13410675 0.84 PPARD (0.46) HTR7HDAC1HDAC8HSD17B3MMP1
SCHEMBL2269889 0.83 MAPT (0.61) HDAC1HDAC8MMP1PTPN1GSK3B

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
US-7338960-B2 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338960-B2 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338960-B2 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1513526-B1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2007-11-07 EP disclosed
EP-1513526-B1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2007-11-07 EP disclosed
US-20060089394-A1 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2006-04-27 US disclosed
EP-1513526-A1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000315-A1 PHENYLALKANOIC ACID AND PHENYLOXYALKANOIC 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-20060089394-A1 Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as hppar activators LIPA, PNLIP, CEL HTR7 172/4885HDAC1 630/4885HDAC8 533/4885

“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.