SCHEMBL7198348

SCHEMBL7198348

COc1cc(OC)c(C(=O)CC(C)c2c(OC)cc(OC)cc2OC)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 2/20 0.46
LMNA P02545 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
OPRK1 P41145 1/20 0.46
KCNH2 Q12809 1/20 0.46
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CYP2C19 P33261 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL7194094 0.82 ABCG2 (0.43) CYP3A4ABCG2
SCHEMBL7194091 0.82 ABCG2 (0.43) CYP3A4ABCG2
SCHEMBL27911175 0.81 STING1 (0.52)
SCHEMBL28047701 0.76 CYP3A4 (0.61) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL2150320 0.75 USP2 (0.55) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL8546247 0.75 CYP3A4 (0.55) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL10767860 0.74 CYP2D6 (0.49) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL827858 0.74 CYP3A4 (0.53) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL824487 0.74 CYP3A4 (0.53) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL19243000 0.73 ALDH1A1 (0.40) LMNA

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 CYP3A4 254/4885USP2 4375/4885MAPK1 1036/4885

“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.