SCHEMBL7197937

SCHEMBL7197937

Cc1c(OC2CCCCO2)ccc(C=O)c1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.40
PDE4B Q07343 2/20 0.38
TLR2 O60603 1/20 0.33
ERN1 O75460 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
ACACB O00763 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8160435 1.00 PTPN1 (0.40) PTPN1PDE4BTLR2ERN1TLR1
SCHEMBL5773668 0.85 PTPN1 (0.40) PTPN1PDE4BERN1ALDH1A1
SCHEMBL322371 0.84 PDE4B (0.42) PTPN1PDE4BMEN1KMT2AALDH1A1
SCHEMBL8161677 0.84 PDE4B (0.42) PTPN1PDE4BMEN1KMT2AALDH1A1
SCHEMBL7193603 0.82 PTPN1 (0.39) PTPN1PDE4BMEN1KMT2A
SCHEMBL8154217 0.82 PTPN1 (0.39) PTPN1PDE4BMEN1KMT2A
SCHEMBL30705020 0.82 PDE4B (0.39) PTPN1PDE4BTLR2ERN1TLR1
SCHEMBL6867104 0.76 MAOA (0.41) PTPN1PDE4BMEN1KMT2A
SCHEMBL7190219 0.76 PTPN1 (0.42) PTPN1PDE4BALDH1A1
SCHEMBL5863691 0.75 ALDH1A1 (0.42) PTPN1PDE4BMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTPN1 872/4885PDE4B 3413/4885TLR2 528/4885

“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.