SCHEMBL1443787

SCHEMBL1443787

O=C(O)CCC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 1.00
▸ TSHR P16473 1/20 1.00
▸ ALDH1A1 P00352 3/20 0.88
▸ CTNNB1 P35222 13/20 0.79
▸ WNT3A P56704 9/20 0.72
▸ HPGD P15428 1/20 0.71
▸ TP53 P04637 2/20 0.69
▸ MAPT P10636 2/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ ATM Q13315 1/20 0.66
▸ LMNA P02545 1/20 0.65
▸ KLF5 Q13887 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65

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
SCHEMBL4259988 0.94 ALDH1A1 (1.00) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL653025 0.93 PKM (0.87) PKMTSHRALDH1A1CTNNB1WNT3A
Gamma-Aminobutyric Acid SCHEMBL9959686 0.90 PKM (0.81) PKMTSHRALDH1A1CTNNB1WNT3A
Dalosirvat SCHEMBL653870 0.89 CTNNB1 (1.00) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL9959687 0.85 PKM (0.73) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL652627 0.85 CTNNB1 (0.77) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL10027736 0.84 CTNNB1 (1.00) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL654022 0.84 CTNNB1 (1.00) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL5207347 0.84 PKM (0.72) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL20079920 0.84 PKM (0.72) PKMTSHRALDH1A1CTNNB1WNT3A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 — — US disclosed
US-20160039795-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-11 — — US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 — — US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 — — EP disclosed
EP-2656072-B1 MULTI-ANALYTE MICROARRAYS USING TAG-SPECIFIC ANTIBODIES AND TAG-ANCHORED ANTIBODIES RANDOX LAB LTD (GB) 2015-01-21 — — EP disclosed
EP-2656072-B1 MULTI-ANALYTE MICROARRAYS USING TAG-SPECIFIC ANTIBODIES AND TAG-ANCHORED ANTIBODIES RANDOX LAB LTD (GB) 2015-01-21 — — EP disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 — — US disclosed
US-20130310277-A1 MULTI-ANALYTE MICROARRAYS USING TAG-SPECIFIC ANTIBODIES AND TAG-ANCHORED ANTIBODIES RANDOX LABORATORIES LIMITED (GB) 2013-11-21 — — US disclosed
EP-2656072-A1 MULTI-ANALYTE MICROARRAYS USING TAG-SPECIFIC ANTIBODIES AND TAG-ANCHORED ANTIBODIES Randox Laboratories Ltd. (GB) 2013-10-30 — — EP disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 — — US disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 — — EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 — — US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 — — US disclosed
CN-1492874-A Macrolide antibiotics — 2004-04-28 — — CN disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 — — US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 — — EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 — — WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — 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 (5 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 PKM 956/4885TSHR 723/4885ALDH1A1 2549/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 PKM 956/4885TSHR 723/4885ALDH1A1 2549/4885
US-20160039795-A1 NOVEL INHIBITORS GLUL, QPCT, GLS PKM 997/4885TSHR 2954/4885ALDH1A1 2195/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS PKM 997/4885TSHR 2954/4885ALDH1A1 2195/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 PKM 1051/4885TSHR 1579/4885ALDH1A1 2482/4885

“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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