SCHEMBL13039634

SCHEMBL13039634

CCCC/C=C/C(=O)CCC(=O)/C=C/CCCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.63
PPARA Q07869 4/20 0.63
F7 P08709 2/20 0.52
F3 P13726 2/20 0.52
KDM4E B2RXH2 1/20 0.49
TERT O14746 3/20 0.47
PTPN1 P18031 3/20 0.47
CYP1A2 P05177 2/20 0.47
MAPT P10636 2/20 0.47
CYP2C19 P33261 2/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
FAAH O00519 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARD Q03181 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 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
SCHEMBL4952427 0.93 PPARG (0.61) PPARGPPARAF7F3KDM4E
SCHEMBL15951510 0.92 PPARG (0.56) PPARGPPARAF7F3KDM4E
SCHEMBL8698253 0.89 PPARG (0.79) PPARGPPARAF7F3KDM4E
SCHEMBL16016888 0.87 OXER1 (0.55) PPARGPPARACYP1A2CYP2C19LMNA
SCHEMBL7939881 0.86 PPARG (0.76) PPARGPPARAF7F3KDM4E
SCHEMBL6192216 0.86 PPARG (0.76) PPARGPPARAF7F3KDM4E
SCHEMBL4422072 0.86 PPARG (0.70) PPARGPPARAF7F3KDM4E
SCHEMBL4422070 0.86 PPARG (0.70) PPARGPPARAF7F3KDM4E
SCHEMBL6448401 0.86 PPARG (0.82) PPARGPPARAF7F3KDM4E
SCHEMBL2599317 0.86 PPARG (0.82) PPARGPPARAF7F3KDM4E

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-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, LLC (US) 2010-11-04 US disclosed
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, LLC (US) 2010-11-04 US disclosed
US-7799954-B2 Dicarbonyl derivatives and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-09-21 US disclosed
US-7799954-B2 Dicarbonyl derivatives and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-09-21 US disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US 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-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD PPARG 4055/4885PPARA 3622/4885F7 2808/4885
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD PPARG 4055/4885PPARA 3622/4885F7 2808/4885

“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.