SCHEMBL6154018

SCHEMBL6154018

O=C(CC(O)CC(=O)OCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.48
MMP1 P03956 1/20 0.48
IDO1 P14902 2/20 0.47
PPARG P37231 5/20 0.46
PPARA Q07869 4/20 0.46
MAOB P27338 3/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FFAR1 O14842 3/20 0.42

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
SCHEMBL6026962 0.83 IDO1 (0.53) MMP12MMP1IDO1PPARGPPARA
SCHEMBL6154533 0.81 KMT2A (0.46) MMP12MMP1IDO1MAOBKMT2A
SCHEMBL6921092 0.80 IDO1 (0.55) MMP12MMP1IDO1PPARGPPARA
SCHEMBL10175183 0.80 MAOB (0.51) MMP12MMP1IDO1PPARGPPARA
SCHEMBL25290310 0.79 IDO1 (0.57) MMP12MMP1IDO1MAOBKMT2A
SCHEMBL6026958 0.79 MMP12 (0.49) MMP12MMP1IDO1PPARGPPARA
SCHEMBL6153385 0.78 KMT2A (0.49) MMP1IDO1MAOBKMT2AMEN1
SCHEMBL6156765 0.78 MEN1 (0.49) MMP12MMP1IDO1MAOBKMT2A
SCHEMBL6154546 0.78 PPARG (0.46) MMP12MMP1PPARGPPARA
SCHEMBL6153568 0.78 ALDH1A1 (0.63) KMT2A

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-20050119341-A1 3-substituted oxyglutaric diester compound, optically active 3-substituted oxyglutaric monoester compound, and processes for producing these UBE INDUSTRIES, LTD. (JP) 2005-06-02 US disclosed
EP-1500642-A1 3-SUBSTITUTED OXYGLUTARIC DIESTER COMPOUND, OPTICALLY ACTIVE 3-SUBSTITUTED OXYGLUTARIC MONOESTER COMPOUND, AND PROCESSES FOR PRODUCING THESE Ube Industries, Ltd. (JP) 2005-01-26 EP 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-20050119341-A1 3-substituted oxyglutaric diester compound, optically active 3-substituted oxyglutaric monoester compound, and processes for producing these OGDH, GLUL, ADSL MMP12 2986/4885MMP1 4254/4885IDO1 1398/4885

“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.