SCHEMBL7188219

SCHEMBL7188219

COc1cccc(C(=O)C=Cc2cc(OC)ccc2OC)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.79
MAPT P10636 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
KDM4E B2RXH2 1/20 0.70
LMNA P02545 1/20 0.70
ATM Q13315 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
PTPN1 P18031 2/20 0.70
PDE4A P27815 1/20 0.67
PDE4B Q07343 1/20 0.67
PDE4C Q08493 1/20 0.67
PDE4D Q08499 1/20 0.67
JUN P05412 1/20 0.67
NFKB1 P19838 1/20 0.67
NPC1 O15118 1/20 0.65
ALDH1A1 P00352 1/20 0.65
RAB9A P51151 1/20 0.65
POLB P06746 1/20 0.65
MAOB P27338 3/20 0.64
RELA Q04206 1/20 0.61

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
SCHEMBL7188211 1.00 ABCG2 (0.79) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7180833 0.90 ABCG2 (0.86) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7180829 0.90 ABCG2 (0.86) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL22721804 0.90 ABCG2 (0.71) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL29391850 0.90 ABCG2 (0.71) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7097534 0.90 ABCG2 (0.71) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7198465 0.89 MAPT (0.82) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7198467 0.89 MAPT (0.82) ABCG2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL28556583 0.89 PTPN1 (0.73) ABCG2MAPTSMN1; SMN2LMNAPTPN1
SCHEMBL7195039 0.87 PTPN1 (0.62) ABCG2MAPTSMN1; SMN2KDM4ELMNA

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 ABCG2 1177/4885MAPT 3817/4885SMN1; SMN2 4746/4885

“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.