SCHEMBL7197219

SCHEMBL7197219

CCCCOc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.58
APP P05067 3/20 0.58
CYSLTR2 Q9NS75 2/20 0.57
CYP1A2 P05177 2/20 0.55
CYP1A1 P04798 1/20 0.55
CYP1B1 Q16678 1/20 0.55
MCL1 Q07820 2/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NR1H4 Q96RI1 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50

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
SCHEMBL7197222 1.00 TUBB1 (0.58) TUBB1APPCYSLTR2CYP1A2CYP1A1
SCHEMBL4852528 0.89 TUBB1 (0.55) TUBB1APPCYSLTR2CYP1A2CYP1A1
SCHEMBL4846963 0.88 TUBB1 (0.56) TUBB1APPCYP1A2CYP1A1CYP1B1
SCHEMBL30736488 0.86 TUBB1 (0.69) TUBB1CYP1A2CYP1A1CYP1B1MCL1
SCHEMBL31436339 0.86 TUBB1 (0.69) TUBB1CYP1A2CYP1A1CYP1B1MCL1
SCHEMBL1425149 0.83 TUBB1 (0.61) TUBB1APPCYP1A2CYP1A1CYP1B1
SCHEMBL1425154 0.83 TUBB1 (0.61) TUBB1APPCYP1A2CYP1A1CYP1B1
SCHEMBL7188050 0.82 TUBB1 (0.63) TUBB1CYP1A2CYP1A1CYP1B1MCL1
SCHEMBL7188056 0.82 TUBB1 (0.63) TUBB1CYP1A2CYP1A1CYP1B1MCL1
SCHEMBL8159343 0.80 AR (0.52) TUBB1CYP1A2CYP1A1CYP1B1NR1H4

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 TUBB1 1508/4885APP 517/4885CYSLTR2 1675/4885

“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.