SCHEMBL818622

SCHEMBL818622

CC(C)=CCC1=C(O)[C@](O)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.76
▸ KDM4E B2RXH2 2/20 0.76
▸ MEN1 O00255 2/20 0.76
▸ KMT2A Q03164 2/20 0.76
▸ AKR1B10 O60218 1/20 0.76
▸ ACHE P22303 1/20 0.43
▸ PTGES O14684 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ DLAT P10515 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL317724 1.00 ALOX5 (0.76) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL819795 0.89 ALOX5 (0.71) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL12327984 0.89 ALOX5 (0.71) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL29888655 0.87 ALOX5 (0.61) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL7897350 0.87 MEN1 (0.74) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL9773779 0.86 ALOX5 (1.00) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL6125220 0.86 ALOX5 (1.00) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL144835 0.86 ALOX5 (1.00) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL6125218 0.86 ALOX5 (1.00) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL316240 0.86 ALOX5 (0.56) ALOX5KDM4EMEN1KMT2AAKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275721-A1 METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION METAPROTEOMICS, LLC (US) 2011-11-10 — — US claimed
US-20110257074-A1 METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION METAPROTEOMICS, LLC (US) 2011-10-20 — — US claimed
EP-2364083-A1 A METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION Metaproteomics, LLC (US) 2011-09-14 — — EP claimed
WO-2010068731-A1 A METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION METAPROTEOMICS, LLC (US) 2010-06-17 — — WO claimed
US-20110275721-A1 METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION METAPROTEOMICS, LLC (US) 2011-11-10 — — US disclosed
US-20110275721-A1 METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION METAPROTEOMICS, LLC (US) 2011-11-10 — — US disclosed
US-20110257074-A1 METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION METAPROTEOMICS, LLC (US) 2011-10-20 — — US disclosed
US-20110257074-A1 METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION METAPROTEOMICS, LLC (US) 2011-10-20 — — US disclosed
EP-2364083-A1 A METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION Metaproteomics, LLC (US) 2011-09-14 — — EP disclosed
WO-2010068731-A1 A METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION METAPROTEOMICS, LLC (US) 2010-06-17 — — 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-20110275721-A1 METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION CYCS, CYP1B1, PDE1C ALOX5 1912/4885KDM4E 3288/4885MEN1 4344/4885
US-20110257074-A1 METHOD FOR THE PURIFICATION OF SUBSTITUTED CYCLOPENT-2-EN-1-ONE CONGENERS AND SUBSTITUTED 1,3-CYCLOPENTADIONE CONGENERS FROM A COMPLEX MIXTURE USING COUNTERCURRENT SEPARATION CYCS, CYP1B1, PDE1C ALOX5 1912/4885KDM4E 3288/4885MEN1 4344/4885

“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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