SCHEMBL6155887

SCHEMBL6155887

COC(=O)CC(CC(=O)OC)C(=O)OCc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
STAT1 P42224 1/20 0.53
RAB9A P51151 1/20 0.53
HCAR2 Q8TDS4 1/20 0.50
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MAOB P27338 8/20 0.46
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
NR4A2 P43354 2/20 0.44
MAOA P21397 2/20 0.44

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
SCHEMBL6154497 0.84 POLB (0.53) KDM4EMMP2MMP9MMP12MAOB
SCHEMBL6153292 0.83 ALDH1A1 (0.53) KDM4EHCAR2MMP1MMP2MMP9
SCHEMBL6153180 0.83 NPC1 (0.52) RAB9AMMP1MMP2MMP9MMP12
SCHEMBL6154616 0.83 CYP3A4 (0.52) HCAR2MMP1MMP2MMP9MMP12
SCHEMBL6155864 0.82 KMT2A (0.48) KDM4EGAARAB9AMMP1MMP2
SCHEMBL6156888 0.80 RAB9A (0.56) KDM4EGAARAB9AMAPTCYP2D6
SCHEMBL25755699 0.78 HCAR2 (0.54) KDM4EGAASTAT1RAB9AHCAR2
SCHEMBL28702040 0.78 HCAR2 (0.56) KDM4EGAASTAT1RAB9AHCAR2
SCHEMBL23135803 0.77 HCAR2 (0.55) KDM4EGAASTAT1RAB9AHCAR2
SCHEMBL25923098 0.76 HCAR2 (0.57) KDM4EGAASTAT1RAB9AHCAR2

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 KDM4E 717/4885GAA 157/4885STAT1 4473/4885

“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.