SCHEMBL7199228

SCHEMBL7199228

COc1cc(O)c(C=CC(=O)c2cccc(O)c2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.74
DPP4 P27487 2/20 0.73
CHRNA7 P36544 2/20 0.66
ABCG2 Q9UNQ0 2/20 0.64
SNCA P37840 2/20 0.59
PTPN1 P18031 3/20 0.58
CAPN1 P07384 1/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
P4HB P07237 1/20 0.55

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
SCHEMBL7199225 1.00 NR1H4 (0.74) NR1H4DPP4CHRNA7ABCG2SNCA
SCHEMBL29803110 0.90 NR1H4 (0.76) NR1H4DPP4CHRNA7ABCG2SNCA
SCHEMBL21643306 0.90 NR1H4 (0.76) NR1H4DPP4CHRNA7ABCG2SNCA
SCHEMBL21643309 0.87 NR1H4 (0.70) NR1H4DPP4CHRNA7ABCG2SNCA
SCHEMBL29803094 0.87 NR1H4 (0.70) NR1H4DPP4CHRNA7ABCG2SNCA
SCHEMBL29803208 0.84 DPP4 (0.66) NR1H4DPP4CHRNA7ABCG2SNCA
SCHEMBL21643382 0.84 DPP4 (0.66) NR1H4DPP4CHRNA7ABCG2SNCA
SCHEMBL29802986 0.82 ABCG2 (0.71) NR1H4DPP4CHRNA7ABCG2CAPN1
SCHEMBL21643397 0.82 ABCG2 (0.71) NR1H4DPP4CHRNA7ABCG2CAPN1
SCHEMBL499242 0.81 NR1H4 (1.00) NR1H4ABCG2TDP1P4HB

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 claimed
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 claimed
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 claimed

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 NR1H4 2196/4885DPP4 1733/4885CHRNA7 4280/4885

“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.