SCHEMBL5160585

SCHEMBL5160585

CCC(C)(Oc1cnc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
PPARA Q07869 7/20 0.42
PPARG P37231 5/20 0.42
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 1/20 0.36
PPARD Q03181 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
FABP2 P12104 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL27592778 0.78 ADORA3 (0.43) ADORA3PPARAPPARG
SCHEMBL3500736 0.75 PPARA (0.68) ADORA3PPARAPPARGOPRK1MEN1
SCHEMBL27610937 0.72 POLB (0.44) ADORA3PPARAPPARGCYP1A2CYP3A4
SCHEMBL30490487 0.71 TDP1 (0.50) PPARAPPARGCYP1A2MAPTCYP2C19
SCHEMBL11465749 0.70 FFAR1 (0.54) ADORA3PPARAPPARGOPRK1MEN1
SCHEMBL14214408 0.70 PPARA (0.47) ADORA3PPARAPPARGPPARD
SCHEMBL1960387 0.70 PPARG (0.62) ADORA3PPARAPPARGOPRK1MEN1
SCHEMBL11073216 0.70 OPRK1 (0.73) ADORA3PPARAPPARGOPRK1MEN1
SCHEMBL5162414 0.70 SMN1; SMN2 (0.50) PPARAPPARGALDH1A1
SCHEMBL3682632 0.69 CYP1A2 (0.51) ADORA3PPARAPPARGOPRK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-06-14 US disclosed
EP-1456174-B1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LTD (GB) 2007-02-14 EP disclosed
US-7166621-B2 Pyridyloxyalkanoic acid amide derivatives useful as fungicides SYNGENTA LIMITED (GB) 2007-01-23 US disclosed
US-20050065032-A1 Pyridyloxyalkanoic acid amide derivatives useful as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2005-03-24 US disclosed
EP-1456174-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES Syngenta Limited (GB) 2004-09-15 EP disclosed
WO-2003048128-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LIMITED (GB) 2003-06-12 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-20050065032-A1 Pyridyloxyalkanoic acid amide derivatives useful as fungicides DDT, C3AR1, CNPY3 ADORA3 236/4885PPARA 3107/4885PPARG 3196/4885
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES DDT, C3AR1, CBR3 ADORA3 273/4885PPARA 2796/4885PPARG 2869/4885

“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.