SCHEMBL3855954

SCHEMBL3855954

COc1cc(/C=C/C(=O)CC(=O)Cc2ccccc2)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.77
▸ MAPT P10636 6/20 0.77
▸ BACE1 P56817 5/20 0.74
▸ NFKB1 P19838 4/20 0.74
▸ MMP9 P14780 4/20 0.74
▸ ALOX5 P09917 3/20 0.74
▸ CYP2D6 P10635 2/20 0.74
▸ CYP2C9 P11712 2/20 0.74
▸ TSHR P16473 2/20 0.74
▸ HSD17B10 Q99714 2/20 0.74
▸ ABCB1 P08183 2/20 0.74
▸ AKR1B1 P15121 2/20 0.74
▸ MAOA P21397 2/20 0.74
▸ MAOB P27338 2/20 0.74
▸ JUN P05412 2/20 0.74
▸ HDAC3 O15379 2/20 0.74
▸ HDAC1 Q13547 2/20 0.74
▸ HDAC2 Q92769 2/20 0.74
▸ HDAC6 Q9UBN7 2/20 0.74
▸ CA12 O43570 2/20 0.74

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
SCHEMBL3855957 1.00 APP (0.77) APPMAPTBACE1NFKB1MMP9
SCHEMBL9695786 0.90 APP (0.76) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL28282502 0.89 APP (0.94) APPMAPTBACE1NFKB1MMP9
SCHEMBL25645109 0.87 APP (1.00) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL27887925 0.86 APP (0.87) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL28361555 0.86 APP (0.94) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL8440 0.86 APP (1.00) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL17629819 0.86 APP (1.00) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL6901740 0.86 APP (1.00) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL2804734 0.86 APP (1.00) APPMAPTBACE1NFKB1MMP9

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-7589123-B2 Chemical compounds PHYTOPHARM PLC (GB) 2009-09-15 — — US claimed
US-7589123-B2 Chemical compounds PHYTOPHARM PLC (GB) 2009-09-15 — — US disclosed
CN-101511350-A Dioxo-alkanes and dioxo-alkenes PHYTOPHARM PLC (GB) 2009-08-19 — — CN disclosed
US-20080045591-A1 Chemical Compounds VECTURA LIMITED (GB) 2008-02-21 — — 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-20080045591-A1 Chemical Compounds CYP11B1, CYP11B2, CYP2S1 APP 912/4885MAPT 1646/4885BACE1 171/4885

“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.

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