SCHEMBL322371

SCHEMBL322371

COc1c(C=O)ccc(OC2CCCCO2)c1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTPN1 P18031 6/20 0.39
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MAOA P21397 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL8161677 1.00 PDE4B (0.42) PDE4BMAPTALDH1A1PTPN1HPGD
SCHEMBL8160435 0.84 PTPN1 (0.40) PDE4BALDH1A1PTPN1MEN1KMT2A
SCHEMBL7197937 0.84 PTPN1 (0.40) PDE4BALDH1A1PTPN1MEN1KMT2A
SCHEMBL30705020 0.83 PDE4B (0.39) PDE4BALDH1A1PTPN1HPGDMEN1
SCHEMBL7190219 0.82 PTPN1 (0.42) PDE4BALDH1A1PTPN1PDE4D
SCHEMBL29394265 0.76 ALDH1A1 (0.54) PDE4BMAPTALDH1A1PTPN1
SCHEMBL5863561 0.76 ALDH1A1 (0.54) PDE4BMAPTALDH1A1PTPN1
SCHEMBL5773668 0.76 PTPN1 (0.40) PDE4BALDH1A1PTPN1
SCHEMBL998425 0.74 PDE4B (0.59) PDE4BALDH1A1PTPN1HPGDPDE4D
SCHEMBL667201 0.74 ALDH1A1 (0.54) PDE4BALDH1A1PTPN1HPGD

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
EP-2590969-B1 Therapeutic agents 976 ASTRAZENECA AB (SE) 2014-10-15 EP disclosed
EP-2590969-A2 THERAPEUTIC AGENTS 976 AstraZeneca AB (SE) 2013-05-15 EP disclosed
WO-2012004588-A2 THERAPEUTIC AGENTS 976 ASTRAZENECA AB (SE) 2012-01-12 WO disclosed
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US disclosed
EP-0996432-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUMINSTITUT (DK) 2000-05-03 EP disclosed
WO-1999000114-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUM INSTITUT (DK) 1999-01-07 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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 PDE4B 3413/4885MAPT 3817/4885ALDH1A1 88/4885

“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.