SCHEMBL6155113

SCHEMBL6155113

O=C(CC(CC(=O)OCc1ccc([N+](=O)[O-])cc1)OC(=O)OCc1ccccc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.44
ATM Q13315 1/20 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
SCHEMBL6154936 0.87 ALDH1A1 (0.56) TDP1ALDH1A1
SCHEMBL6645015 0.84 RAB9A (0.61) HTR2ARAB9ANPC1TDP1ALDH1A1
SCHEMBL6154133 0.82 MEN1 (0.50) RAB9ANPC1ALDH1A1MAPT
SCHEMBL6156588 0.82 ALDH1A1 (0.47) TDP1ALDH1A1MAPT
SCHEMBL6153983 0.82 ALDH1A1 (0.47) ALDH1A1
SCHEMBL11688696 0.80 ALDH1A1 (0.70) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL6659912 0.80 ALDH1A1 (0.70) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL22033527 0.80 HTR2A (0.50) HTR2ATDP1ALDH1A1MAPT
SCHEMBL6153745 0.80 ATM (0.52) RAB9ANPC1ALDH1A1ATM
SCHEMBL6154481 0.79 ALDH1A1 (0.47) RAB9ANPC1TDP1ALDH1A1

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 HTR2A 4750/4885RAB9A 3213/4885NPC1 4217/4885

“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.