SCHEMBL7195653

SCHEMBL7195653

CCCOc1ccc(CC)cc1/C=C/C(=O)c1ccccc1OCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.56
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
MAOB P27338 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL7195658 1.00 AR (0.56) ARKEAP1NFE2L2MAOBABCG2
SCHEMBL7191885 0.94 AR (0.49) ARKEAP1NFE2L2MAOBABCG2
SCHEMBL7191883 0.94 AR (0.49) ARKEAP1NFE2L2MAOBABCG2
SCHEMBL7194138 0.93 CYP3A4 (0.51) ARKEAP1NFE2L2MAOBMEN1
SCHEMBL7196610 0.92 LMNA (0.53) ARKEAP1NFE2L2MAOBMEN1
SCHEMBL7190548 0.91 AR (0.55) ARKEAP1NFE2L2MAOBABCG2
SCHEMBL7190551 0.91 AR (0.55) ARKEAP1NFE2L2MAOBABCG2
SCHEMBL7195767 0.90 AR (0.50) ARMAOBMEN1KMT2AKDM4E
SCHEMBL7195759 0.90 AR (0.50) ARMAOBMEN1KMT2AKDM4E
SCHEMBL8158804 0.87 AR (0.53) ARKEAP1NFE2L2MAOBABCG2

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 AR 3083/4885KEAP1 345/4885NFE2L2 539/4885

“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.