SCHEMBL2139646

SCHEMBL2139646

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.40
TP53 P04637 1/20 0.35
TSHR P16473 4/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
GAA P10253 6/20 0.34
ALDH1A1 P00352 5/20 0.34
GFER P55789 1/20 0.34
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 3/20 0.33
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
GLA P06280 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 1/20 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
SCHEMBL2141828 0.83 GAA (0.40) GAAALDH1A1SMN1; SMN2HSD17B10MGAM
SCHEMBL19736433 0.81 TSHR (0.38) HSP90AB1TP53TSHRCYP4F2CYP4A11
SCHEMBL2140882 0.80 MTNR1A (0.33)
SCHEMBL21160122 0.78 TP53 (0.37) HSP90AB1TP53TSHRCYP4F2CYP4A11
SCHEMBL2141233 0.76
SCHEMBL2139653 0.75 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2HPGDHTT
SCHEMBL2142693 0.72 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL13331957 0.71 ALDH1A1 (0.33) ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL1171891 0.70
SCHEMBL11799159 0.67 GAA (0.31) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940920-B2 Method for preparation of (2-hydroxy-3-oxo-cyclopent-1-enyl)-acetic acid esters TALLINN UNIVERSITY OF TECHNOLOGY (EE) 2015-01-27 US disclosed
US-20140378698-A1 Method for preparation of (2-hydroxy-3-oxo-cyclopent-1-enyl)-acetic acid esters TALLINN UNIVERSITY OF TECHNOLOGY (EE) 2014-12-25 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 (2 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-20140378698-A1 Method for preparation of (2-hydroxy-3-oxo-cyclopent-1-enyl)-acetic acid esters HACL2, HSD17B12, CYP8B1 HSP90AB1 1272/4885TP53 3414/4885TSHR 3553/4885
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 HSP90AB1 950/4885TP53 2661/4885TSHR 2920/4885

“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.