SCHEMBL6153644

SCHEMBL6153644

COC(=O)CC(CC(=O)OC)C(=O)OCc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 6/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
TSHR P16473 2/20 0.48
GLA P06280 1/20 0.48
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
MAOB P27338 2/20 0.43
ATM Q13315 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6153567 0.84 ALDH1A1 (0.49) ALDH1A1NPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL6154257 0.84 L3MBTL1 (0.44) ALDH1A1LMNAKDM4ENPC1L3MBTL1
SCHEMBL6153156 0.82 HPGD (0.49) ALDH1A1KDM4ENPC1L3MBTL1TSHR
SCHEMBL6154391 0.82 TSHR (0.49) ALDH1A1KDM4ENPC1TSHRRAB9A
SCHEMBL19765221 0.79 ALDH1A1 (0.54) ALDH1A1LMNAKDM4ENPC1L3MBTL1
SCHEMBL6153301 0.78 MAOB (0.48) ALDH1A1NPC1L3MBTL1TSHRRAB9A
SCHEMBL29405995 0.76 ALDH1A1 (0.55) ALDH1A1LMNAKDM4ENPC1L3MBTL1
SCHEMBL6155864 0.76 KMT2A (0.48) ALDH1A1LMNAKDM4ENPC1L3MBTL1
SCHEMBL23135435 0.75 ALDH1A1 (0.54) ALDH1A1LMNAKDM4ENPC1L3MBTL1
SCHEMBL10701645 0.75 ALDH1A1 (0.50) ALDH1A1LMNAKDM4ENPC1L3MBTL1

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 ALDH1A1 434/4885LMNA 4022/4885KDM4E 717/4885

“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.