SCHEMBL10018320

SCHEMBL10018320

O=C(O)CCCCC(=O)CC[C@H]1C(=O)C=C[C@@H]1CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
TRPA1 O75762 4/20 0.40
NR4A2 P43354 2/20 0.40
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
UCHL3 P15374 1/20 0.35
PTGS1 P23219 4/20 0.35
PTGS2 P35354 4/20 0.35
DNTT P04053 1/20 0.34
F13A1 P00488 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
NR4A1 P22736 1/20 0.33
PTPN7 P35236 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20792223 1.00 PPARG (0.43) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL12034625 1.00 PPARG (0.43) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL11866056 0.86 PPARG (0.61) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL11866044 0.86 PPARG (0.61) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL21631706 0.78 TRPA1 (0.59) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL11800847 0.77 PPARG (0.67) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL15287190 0.77 PPARG (0.67) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL17451520 0.77 PPARG (0.67) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL11866575 0.76 DNTT (0.44) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL11872504 0.73 MAPT (0.53) PPARGPPARDPPARATRPA1NR4A2

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-8680327-B2 Methods for manufacturing tetranor-prostaglandin D, J, E, A and F metabolites CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2014-03-25 US disclosed
US-8680327-B2 Methods for manufacturing tetranor-prostaglandin D, J, E, A and F metabolites CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2014-03-25 US disclosed
US-20120041229-A1 METHODS FOR MANUFACTURING TETRANOR-PROSTAGLANDIN D, J, E, A AND F METABOLITES CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2012-02-16 US disclosed
US-20120041229-A1 METHODS FOR MANUFACTURING TETRANOR-PROSTAGLANDIN D, J, E, A AND F METABOLITES CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2012-02-16 US disclosed
US-20120021437-A1 TETRANOR-PGDM/PGJM SPECIFIC IMMUNOGENS, ANTIBODIES, TRACERS, ASSAY KITS AND METHODS FOR MAKING SAME CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2012-01-26 US disclosed
WO-2011159740-A2 METHODS FOR MANUFACTURING TETRANOR-PROSTAGLANDIN D, J, E, A AND F METABOLITES CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2011-12-22 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-20120021437-A1 TETRANOR-PGDM/PGJM SPECIFIC IMMUNOGENS, ANTIBODIES, TRACERS, ASSAY KITS AND METHODS FOR MAKING SAME PGM2, PGD, PTGDR PPARG 518/4885PPARD 558/4885PPARA 2322/4885
US-20120041229-A1 METHODS FOR MANUFACTURING TETRANOR-PROSTAGLANDIN D, J, E, A AND F METABOLITES PTGES, PTGDR, PTGIR PPARG 361/4885PPARD 299/4885PPARA 353/4885

“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.