SCHEMBL7180833

SCHEMBL7180833

COc1ccc(OC)c(C=CC(=O)c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.86
MAPT P10636 3/20 0.80
NPC1 O15118 3/20 0.80
RAB9A P51151 3/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
ALDH1A1 P00352 1/20 0.80
LMNA P02545 2/20 0.76
KDM4E B2RXH2 1/20 0.76
ATM Q13315 1/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
BCHE P06276 2/20 0.71
MAOB P27338 1/20 0.70
NFKB1 P19838 2/20 0.68
JUN P05412 1/20 0.68
PDE4A P27815 1/20 0.68
PDE4B Q07343 1/20 0.68
PDE4C Q08493 1/20 0.68
PDE4D Q08499 1/20 0.68
TNFRSF1A P19438 2/20 0.66
POLB P06746 1/20 0.62

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
SCHEMBL7180829 1.00 ABCG2 (0.86) ABCG2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7185006 0.91 ABCG2 (0.97) ABCG2MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL7185011 0.91 ABCG2 (0.97) ABCG2MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL7188219 0.90 ABCG2 (0.79) ABCG2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7188211 0.90 ABCG2 (0.79) ABCG2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7188106 0.89 MAPT (1.00) ABCG2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7188111 0.89 MAPT (1.00) ABCG2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30307319 0.87 ABCG2 (0.89) ABCG2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6352780 0.87 ABCG2 (0.89) ABCG2MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6352783 0.87 ABCG2 (0.89) ABCG2MAPTRAB9ASMN1; SMN2ALDH1A1

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 4 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
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US 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 ABCG2 1177/4885MAPT 3817/4885NPC1 3105/4885

“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.