SCHEMBL2139653

SCHEMBL2139653

O=C(O)CC1=C(O)C(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
AKR1B1 P15121 3/20 0.31

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
SCHEMBL3469523 0.87 RXRA (0.33) ALDH1A1HTTCA2CAMK2A
SCHEMBL12808556 0.69 ALDH1A1 (0.37) ALDH1A1HTTKDM4EHPGDSMN1; SMN2
SCHEMBL11799159 0.68 GAA (0.31)
SCHEMBL2862352 0.68 KDM4E (0.40) ALDH1A1KDM4E
SCHEMBL20359277 0.67 AKR1B1 (0.50) ALDH1A1KDM4EHPGDAKR1B1
SCHEMBL10721635 0.67 POLB (0.39) ALDH1A1HTTKDM4EHPGDCA2
SCHEMBL9785266 0.67 POLB (0.32) CA2CAMK2AAKR1B1
SCHEMBL13952188 0.66 ALDH1A1 (0.36) ALDH1A1HTTKDM4EHPGDSMN1; SMN2
Propionic Acid SCHEMBL28491340 0.65 FFAR3 (0.42) ALDH1A1
SCHEMBL9616985 0.64

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148568-B2 Esters of (2-hydroxy-3-oxo-cyclopent-1-enyl) acetic acid and their use for preparing (−)-R-homocitric acid gamma-lactone, (+)-S-homocitric acid gamma-lactone and the corresponding (−)-R-homocitric acid and (+)-S-homocitric acid salts TALLINN UNIVERSITY OF TECHNOLOGY (EE) 2012-04-03 US claimed
US-20090187041-A1 ESTERS OF (2-HYDROXY-3-OXO-CYCLOPENT-1-ENYL) ACETIC ACID AND THEIR USE FOR PREPARING (-)-R-HOMOCITRIC ACID GAMMA-LACTONE, (+)-S-HOMOCITRIC ACID GAMMA-LACTONE AND THE CORRESPONDING (-)-R-HOMOCITRIC ACID AND (+)-S-HOMOCITRIC ACID SALTS TALLINN UNIVERSITY OF TECHNOLOGY (EE) 2009-07-23 US claimed
US-8148568-B2 Esters of (2-hydroxy-3-oxo-cyclopent-1-enyl) acetic acid and their use for preparing (−)-R-homocitric acid gamma-lactone, (+)-S-homocitric acid gamma-lactone and the corresponding (−)-R-homocitric acid and (+)-S-homocitric acid salts TALLINN UNIVERSITY OF TECHNOLOGY (EE) 2012-04-03 US disclosed
US-8148568-B2 Esters of (2-hydroxy-3-oxo-cyclopent-1-enyl) acetic acid and their use for preparing (−)-R-homocitric acid gamma-lactone, (+)-S-homocitric acid gamma-lactone and the corresponding (−)-R-homocitric acid and (+)-S-homocitric acid salts TALLINN UNIVERSITY OF TECHNOLOGY (EE) 2012-04-03 US disclosed
US-20090187041-A1 ESTERS OF (2-HYDROXY-3-OXO-CYCLOPENT-1-ENYL) ACETIC ACID AND THEIR USE FOR PREPARING (-)-R-HOMOCITRIC ACID GAMMA-LACTONE, (+)-S-HOMOCITRIC ACID GAMMA-LACTONE AND THE CORRESPONDING (-)-R-HOMOCITRIC ACID AND (+)-S-HOMOCITRIC ACID SALTS TALLINN UNIVERSITY OF TECHNOLOGY (EE) 2009-07-23 US disclosed
WO-2007137593-A1 ESTERS OF (2-HYDROXY-3-OXO-CYCLOPENT-1-ENYL) ACETIC ACID AND THEIR USE FOR PREPARING (-)-R-HOMOCITRIC ACID GAMMA-LACTONE, (+)-S-HOMOCITRIC ACID GAMMA-LACTONE AND THE CORRESPONDING (-)-R-HOMOCITRIC ACID AND (+)-S-HOMOCITRIC ACID SALTS TALLINN UNIVERSITY OF TECHNOLOGY (EE) 2007-12-06 WO 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-20090187041-A1 ESTERS OF (2-HYDROXY-3-OXO-CYCLOPENT-1-ENYL) ACETIC ACID AND THEIR USE FOR PREPARING (-)-R-HOMOCITRIC ACID GAMMA-LACTONE, (+)-S-HOMOCITRIC ACID GAMMA-LACTONE AND THE CORRESPONDING (-)-R-HOMOCITRIC ACID AND (+)-S-HOMOCITRIC ACID SALTS HACL2, CYP8B1, HCAR1 ALDH1A1 359/4885HTT 243/4885KDM4E 4301/4885

“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.