SCHEMBL6153637

SCHEMBL6153637

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
IDO1 P14902 2/20 0.51
HTR2A P28223 1/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 1/20 0.51
AKR1C3 P42330 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL9781803 0.86 HTR2A (0.48) RAB9AHTR2AALDH1A1MAPTGAA
SCHEMBL8975833 0.84 IDO1 (0.51) RAB9AIDO1HTR2AALDH1A1MAPT
SCHEMBL1555636 0.83 ALDH1A1 (0.59) RAB9AIDO1HTR2AALDH1A1MAPT
SCHEMBL29171050 0.83 HTR2A (0.59) RAB9AIDO1HTR2AALDH1A1MAPT
SCHEMBL7729899 0.82 ALDH1A1 (0.58) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL5235557 0.82 IDO1 (0.56) RAB9AIDO1HTR2AALDH1A1MAPT
SCHEMBL9782567 0.82 IDO1 (0.56) RAB9AIDO1HTR2AALDH1A1MAPT
SCHEMBL9820376 0.82 IDO1 (0.56) RAB9AIDO1HTR2AALDH1A1MAPT
Water SCHEMBL8424505 0.81 RAB9A (0.54) RAB9AIDO1HTR2AALDH1A1MAPT
SCHEMBL6141237 0.81 ALDH1A1 (0.56) RAB9AIDO1HTR2AALDH1A1MAPT

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 RAB9A 3213/4885IDO1 1398/4885HTR2A 4750/4885

“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.