SCHEMBL6154533

SCHEMBL6154533

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
MAPT P10636 2/20 0.43
NR4A2 P43354 1/20 0.42
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOB P27338 2/20 0.41
PARP10 Q53GL7 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
SCHEMBL6153385 0.82 KMT2A (0.49) KMT2AALDH1A1KDM4EMMP1MAPT
SCHEMBL6156765 0.82 MEN1 (0.49) KMT2AALDH1A1MMP1MMP2MMP9
SCHEMBL6153568 0.81 ALDH1A1 (0.63) KMT2AALDH1A1MMP9L3MBTL1LMNA
SCHEMBL6154018 0.81 MMP12 (0.48) KMT2AMMP1MMP12IDO1MEN1
SCHEMBL6154504 0.79 ALDH1A1 (0.51) KMT2AALDH1A1MMP1MMP2MMP9
SCHEMBL15161585 0.78 KMT2A (0.51) KMT2AALDH1A1KDM4EMMP1MMP2
SCHEMBL10957335 0.78 IDO1 (0.50) KMT2AALDH1A1KDM4EMMP1MMP2
SCHEMBL6153637 0.77 RAB9A (0.52) ALDH1A1MAPTIDO1L3MBTL1MAPK1
SCHEMBL1788919 0.77 KDM4E (0.53) KMT2AKDM4EMMP1MMP2MMP9
SCHEMBL6554287 0.77 IDO1 (0.52) KMT2AKDM4EMMP1MMP2MMP9

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 KMT2A 2290/4885ALDH1A1 434/4885KDM4E 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.