SCHEMBL4876093

SCHEMBL4876093

CC(C)CC(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 11/20 0.61
NR1H3 Q13133 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
RORC P51449 1/20 0.46
NR1H2 P55055 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL18860300 0.84 PTPN1 (0.59)
SCHEMBL11014128 0.79 MAPT (0.58) SMN1; SMN2GAAMAPK1LMNAHTT
SCHEMBL13100303 0.78 SMN1; SMN2 (0.59) MLYCDNR1H3SMN1; SMN2RORCNR1H2
SCHEMBL4431611 0.78 HSD17B3 (0.55) MLYCDNR1H3SMN1; SMN2RORCNR1H2
SCHEMBL4877556 0.77 MLYCD (0.58) MLYCDNR1H3SMN1; SMN2RORCNR1H2
SCHEMBL3099164 0.76 MLYCD (1.00) MLYCDNR1H3SMN1; SMN2GAAMAPK1
SCHEMBL4420349 0.75 HTR7 (0.60) MLYCDNR1H3RORCNR1H2
SCHEMBL5169313 0.74 PTPN1 (0.55) SMN1; SMN2
SCHEMBL17148448 0.74 KMT2A (0.52) SMN1; SMN2GAAMAPK1LMNANPSR1
SCHEMBL21654210 0.73 MMP2 (0.50) SMN1; SMN2

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 MLYCD 1/4885NR1H3 1471/4885SMN1; SMN2 2729/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885NR1H3 1405/4885SMN1; SMN2 2783/4885

“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.