SCHEMBL6156888

SCHEMBL6156888

COC(=O)CC(CC(=O)OC)C(=O)OCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
HTT P42858 1/20 0.55
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 5/20 0.52
MAPT P10636 3/20 0.52
MAOB P27338 2/20 0.51
MAOA P21397 1/20 0.51
MEN1 O00255 4/20 0.51
LMNA P02545 3/20 0.51
PKM P14618 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
FFAR1 O14842 1/20 0.47

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
SCHEMBL6153746 0.85 GAA (0.52) RAB9AHTTALDH1A1MAPTGAA
SCHEMBL6154497 0.81 POLB (0.53) ALDH1A1KMT2AMAOBMEN1KDM4E
SCHEMBL31081305 0.80 RAB9A (0.62) RAB9AHTTALDH1A1KMT2AMAPT
SCHEMBL6154616 0.80 CYP3A4 (0.52) MAOBMAOACYP2D6CYP2C9CYP2C19
SCHEMBL6155887 0.80 KDM4E (0.53) RAB9AMAPTMAOBMAOAKDM4E
SCHEMBL6153292 0.80 ALDH1A1 (0.53) HTTALDH1A1KMT2AMAOBMAOA
SCHEMBL6153180 0.80 NPC1 (0.52) RAB9AHTTALDH1A1KMT2AMEN1
SCHEMBL28145792 0.80 RAB9A (0.62) RAB9AHTTALDH1A1KMT2AMAPT
SCHEMBL3719794 0.79 MAOB (0.63) RAB9AHTTALDH1A1KMT2AMAPT
SCHEMBL27808945 0.79 RAB9A (0.61) RAB9AHTTALDH1A1KMT2AMAPT

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 3213/4885HTT 1978/4885ALDH1A1 434/4885

“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.