SCHEMBL4879080

SCHEMBL4879080

CCCC(=NOC(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 8/20 0.43
NR1H2 P55055 7/20 0.43
MLYCD O95822 8/20 0.43
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RORC P51449 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
SCHEMBL4879075 1.00 NR1H3 (0.43) NR1H3NR1H2MLYCDGAAMAPK1
SCHEMBL4422246 0.85 NR1H2 (0.46) NR1H3NR1H2MLYCDSMN1; SMN2LMNA
SCHEMBL4422251 0.85 NR1H2 (0.46) NR1H3NR1H2MLYCDSMN1; SMN2LMNA
SCHEMBL4431621 0.84 MLYCD (0.44) NR1H3NR1H2MLYCDGAAMAPK1
SCHEMBL4431625 0.84 MLYCD (0.44) NR1H3NR1H2MLYCDGAAMAPK1
SCHEMBL4876198 0.83 NR1H2 (0.45) NR1H3NR1H2MLYCDSMN1; SMN2LMNA
SCHEMBL4876192 0.83 NR1H2 (0.45) NR1H3NR1H2MLYCDSMN1; SMN2LMNA
SCHEMBL4882249 0.80 NR1H3 (0.50) NR1H3NR1H2MLYCD
SCHEMBL4884853 0.80 NR1H3 (0.50) NR1H3NR1H2MLYCD
SCHEMBL4882253 0.80 NR1H3 (0.50) NR1H3NR1H2MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-20 US claimed
US-7279477-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-09 US claimed
US-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-01 US claimed

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-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ACACA, ME1 NR1H3 1471/4885NR1H2 1305/4885MLYCD 1/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA NR1H3 1405/4885NR1H2 1233/4885MLYCD 1/4885

“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.