SCHEMBL7188233

SCHEMBL7188233

COc1cc(/C=C/C(=O)c2ccccc2)c(OC)c([N+](=O)[O-])c1O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
ALDH1A1 P00352 3/20 0.55
NTSR1 P30989 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NLRP3 Q96P20 1/20 0.55
MAPT P10636 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
BCHE P06276 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
KRAS P01116 2/20 0.51
HTT P42858 2/20 0.51
MAOB P27338 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
TNFRSF1A P19438 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL7188238 1.00 LMNA (0.55) LMNAALDH1A1NTSR1TDP1NLRP3
SCHEMBL27632288 0.88 LMNA (0.57) LMNAALDH1A1NTSR1TDP1NLRP3
SCHEMBL28126221 0.84 NPC1 (0.63) LMNAALDH1A1NLRP3MAPTNPC1
SCHEMBL27923020 0.82 NPC1 (0.63) LMNAALDH1A1NLRP3MAPTNPC1
SCHEMBL27391381 0.80 NPC1 (0.60) LMNAALDH1A1NLRP3MAPTNPC1
SCHEMBL27391382 0.80 NPC1 (0.60) LMNAALDH1A1NLRP3MAPTNPC1
SCHEMBL27762381 0.79 NPC1 (0.63) LMNAALDH1A1NLRP3MAPTNPC1
SCHEMBL5313684 0.79 NPC1 (0.63) LMNAALDH1A1NLRP3MAPTNPC1
SCHEMBL4864059 0.79 NPC1 (0.67) LMNAALDH1A1NLRP3MAPTNPC1
SCHEMBL27702561 0.79 MAPT (0.67) LMNAALDH1A1TDP1NLRP3MAPT

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 LMNA 1586/4885ALDH1A1 88/4885NTSR1 780/4885

“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.