SCHEMBL15959433

SCHEMBL15959433

CC(C)(C)CCCOc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.42
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.37
PPARG P37231 1/20 0.37
HTR1A P08908 2/20 0.37
HTR1B P28222 2/20 0.37
HTR1D P28221 1/20 0.37
KCNA3 P22001 1/20 0.37

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
SCHEMBL12052125 0.83 LTA4H (0.53) CYP3A4LTA4H
SCHEMBL15959430 0.82 MAPK1 (0.40) PPARACYP3A4L3MBTL1
SCHEMBL16472055 0.82 PPARA (0.54) PPARASMN1; SMN2L3MBTL1
SCHEMBL15617688 0.82 DRD2 (0.55) PPARASMN1; SMN2L3MBTL1
SCHEMBL23574899 0.80 LTA4H (0.58) PPARACYP3A4SMN1; SMN2LTA4H
SCHEMBL13141262 0.80 HRH3 (0.54) CYP3A4SMN1; SMN2
SCHEMBL22623976 0.80 DRD2 (0.50) PPARASMN1; SMN2L3MBTL1
SCHEMBL13526893 0.80 APP (0.47) PPARACYP3A4SMN1; SMN2
SCHEMBL13526994 0.80 TDP1 (0.53) PPARASMN1; SMN2L3MBTL1LTA4HHTR1A
SCHEMBL10202896 0.79 KCNA3 (0.62) PPARALTA4HHTR1BHTR1DKCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993557-B2 Pyridinedione carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-31 US disclosed
US-20140235608-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-21 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 (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-20140235608-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL PPARA 109/4885CYP3A4 552/4885SMN1; SMN2 4798/4885

“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.