SCHEMBL3857593

SCHEMBL3857593

CCOc1cc(/C=C/C(=O)CC(=O)c2ccccc2)ccc1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.79
ALOX5 P09917 3/20 0.63
NFKB1 P19838 2/20 0.63
STAT3 P40763 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
APP P05067 7/20 0.62
MAPT P10636 6/20 0.62
TRPA1 O75762 1/20 0.60
BACE1 P56817 4/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 2/20 0.59
ABCB1 P08183 2/20 0.59
AKR1B1 P15121 2/20 0.59
MAOA P21397 2/20 0.59
MAOB P27338 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HDAC3 O15379 2/20 0.59

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
SCHEMBL3857596 1.00 TOP2A (0.79) TOP2AALOX5NFKB1STAT3NFKB2
Ethyl Curcumin SCHEMBL8965258 0.89 TOP2A (1.00) TOP2AALOX5NFKB1STAT3NFKB2
Ethyl Curcumin SCHEMBL8965263 0.89 TOP2A (1.00) TOP2AALOX5NFKB1STAT3NFKB2
SCHEMBL3842259 0.88 ALOX5 (0.81) TOP2AALOX5NFKB1STAT3NFKB2
SCHEMBL3855984 0.88 ALOX5 (0.81) TOP2AALOX5NFKB1STAT3NFKB2
SCHEMBL25192200 0.85 MAPT (0.75) TOP2AMAPTTRPA1MAOAMAOB
SCHEMBL31233159 0.85 MAPT (0.75) TOP2AMAPTTRPA1MAOAMAOB
SCHEMBL1374497 0.84 TOP2A (0.89) TOP2AALOX5NFKB1STAT3NFKB2
SCHEMBL27686673 0.84 TOP2A (0.89) TOP2AALOX5NFKB1STAT3NFKB2
SCHEMBL29929626 0.84 TOP2A (0.89) TOP2AALOX5NFKB1STAT3NFKB2

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-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 TOP2A 1425/4885ALOX5 1556/4885NFKB1 1509/4885

“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.