SCHEMBL885365

SCHEMBL885365

CC(=O)OC1=C(O)C(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ PIM1 P11309 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ AR P10275 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL27536958 0.78 LMNA (0.34) GLACYP19A1LMNAESR1PGR
SCHEMBL11343530 0.77 GLA (0.33) GLACYP19A1
SCHEMBL7531500 0.69 PGR (0.42) GLACYP19A1LMNAESR1PGR
SCHEMBL9648799 0.69 ESR1 (0.38) GLACYP19A1LMNAESR1PGR
SCHEMBL5480824 0.68 — —
SCHEMBL4247967 0.67 ALDH1A1 (0.40) LMNA
SCHEMBL3448202 0.67 ESR1 (0.34) GLACYP19A1CYP3A4LMNAESR1
SCHEMBL10477955 0.67 PGR (0.38) GLACYP19A1CYP3A4LMNAESR1
SCHEMBL6719363 0.67 KDM4E (0.35) GLALMNAESR1PGRCHRM2
SCHEMBL2862352 0.66 KDM4E (0.40) LMNA

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 7 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
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 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 PREP 1908/4885GLA 1033/4885PIM1 3397/4885

“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.

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