SCHEMBL4885810

SCHEMBL4885810

NCc1cc(O)ccc1CCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.44
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
CHRNA7 P36544 1/20 0.40
TYR P14679 1/20 0.39
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 2/20 0.39

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
SCHEMBL26046348 0.84 POLB (0.50) POLBNPSR1EGFRLCKCHRNA7
SCHEMBL28123366 0.84 POLB (0.54) POLBNPSR1EGFRLCKTYR
SCHEMBL11486533 0.81 CAMK2A (0.50) POLBNPSR1EGFRLCK
SCHEMBL490884 0.81 EGFR (0.57) POLBNPSR1EGFRLCKCHRNA7
SCHEMBL27536354 0.81 FFAR1 (0.48) POLBNPSR1FFAR1FFAR4
SCHEMBL14110330 0.80 ALDH1A1 (0.42) POLBEGFR
SCHEMBL11705205 0.80 POLB (0.50) POLBNPSR1CHRNA7TYRFFAR1
SCHEMBL490491 0.79 POLB (0.67) POLBTYR
SCHEMBL29998634 0.79 POLB (0.67) POLBTYR
SCHEMBL1789904 0.78 TYR (0.57) POLBNPSR1TYR

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
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US disclosed
CN-1578659-A Modulators of peroxisome proliferator activated receptors (ppar) LILLY CO ELI (US) 2005-02-09 CN disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 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 (2 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD POLB 1408/4885NPSR1 827/4885EGFR 2276/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD POLB 1408/4885NPSR1 827/4885EGFR 2276/4885

“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.